cif
stringlengths 674
4.09k
| formula
stringlengths 1
20
| spacegroup
stringlengths 2
10
| spacegroup_number
int64 1
230
| crystal_system
stringclasses 7
values | pointgroup
stringlengths 1
5
| density
float64 91.6
41.4k
| is_longer_than_allowed
bool 2
classes |
|---|---|---|---|---|---|---|---|
[CIF]
data_Tl2VFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05507777
_cell_length_b 3.05507777
_cell_length_c 8.47073086
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tl2VFe
_chemical_formula_sum 'Tl2 V1 Fe1'
_cell_volume 79.06156801
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 1.52753889 1.52753889 5.79978795 1
Tl Tl1 1 0.00000000 0.00000000 7.99606863 1
Tl Tl2 1 1.52753889 1.52753889 2.58988225 1
V V3 1 0.00000000 0.00000000 4.79108832 1
[/CIF]
| FeTl2V | P4mm | 99 | tetragonal | 4mm | 10,828.220145 | false |
[CIF]
data_LiInNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58537270
_cell_length_b 4.58537270
_cell_length_c 4.58537270
_cell_angle_alpha 133.23457563
_cell_angle_beta 128.78639802
_cell_angle_gamma 71.85603729
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiInNi2
_chemical_formula_sum 'Li1 In1 Ni2'
_cell_volume 53.56292487
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 0.00000000 0.00000000 3.71302754 1
Li Li1 1 0.00000000 0.00000000 0.00000000 1
Ni Ni2 1 1.81980126 0.00000000 1.82240620 1
Ni Ni3 1 -0.00000000 1.98176503 1.89062134 1
[/CIF]
| InLiNi2 | Immm | 71 | orthorhombic | mmm | 7,413.914502 | false |
[CIF]
data_Ga2Fe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69836660
_cell_length_b 4.69836660
_cell_length_c 4.69836660
_cell_angle_alpha 141.57381811
_cell_angle_beta 141.57381811
_cell_angle_gamma 55.47129354
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ga2Fe
_chemical_formula_sum 'Ga2 Fe1'
_cell_volume 39.76531761
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 0.00000000 0.00000000 0.00000000 1
Ga Ga1 1 0.00000000 -0.00000000 5.47048196 1
Ga Ga2 1 0.00000000 -0.00000000 2.84660654 1
[/CIF]
| FeGa2 | I4/mmm | 139 | tetragonal | 4/mmm | 8,155.054563 | false |
[CIF]
data_TcAg2Te
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.87958652
_cell_length_b 4.69010955
_cell_length_c 5.64236104
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TcAg2Te
_chemical_formula_sum 'Tc1 Ag2 Te1'
_cell_volume 76.20333719
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 1.43979326 2.34505478 4.31989317 1
Ag Ag1 1 1.43979326 2.34505478 1.32246787 1
Tc Tc2 1 0.00000000 0.00000000 0.00000000 1
Te Te3 1 0.00000000 0.00000000 2.82118052 1
[/CIF]
| Ag2TcTe | Pmmm | 47 | orthorhombic | mmm | 9,636.862916 | false |
[CIF]
data_Ta2InHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.51722413
_cell_length_b 10.51722413
_cell_length_c 10.51722413
_cell_angle_alpha 16.53089518
_cell_angle_beta 16.53089518
_cell_angle_gamma 16.53089518
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta2InHg
_chemical_formula_sum 'Ta2 In1 Hg1'
_cell_volume 82.12948702
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 0.00000000 0.00000000 15.43627947 1
In In1 1 0.00000000 0.00000000 7.89955148 1
Ta Ta2 1 0.00000000 -0.00000000 0.05157381 1
Ta Ta3 1 -0.00000000 0.00000000 23.28347742 1
[/CIF]
| HgInTa2 | R3m | 160 | trigonal | 3m | 13,694.099333 | false |
[CIF]
data_SrCo2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78124587
_cell_length_b 4.78124587
_cell_length_c 4.78124587
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrCo2Br
_chemical_formula_sum 'Sr1 Co2 Br1'
_cell_volume 77.28731774
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Br Br0 1 0.00000000 0.00000000 0.00000000 1
Co Co1 1 1.69042569 1.69042569 1.69042569 1
Co Co2 1 5.07127707 5.07127707 5.07127707 1
Sr Sr3 1 3.38085138 3.38085138 3.38085138 1
[/CIF]
| BrCo2Sr | Fm-3m | 225 | cubic | m-3m | 6,131.69024 | false |
[CIF]
data_Ba4GeRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.78058881
_cell_length_b 6.78058881
_cell_length_c 6.78058881
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba4GeRu
_chemical_formula_sum 'Ba4 Ge1 Ru1'
_cell_volume 220.43838901
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 3.59644790 3.59644790 5.99275276 1
Ba Ba1 1 3.59644790 5.99275276 3.59644790 1
Ba Ba2 1 5.99275276 3.59644790 3.59644790 1
Ba Ba3 1 5.99275276 5.99275276 5.99275276 1
Ge Ge4 1 0.00000000 0.00000000 0.00000000 1
Ru Ru5 1 2.39730016 2.39730016 2.39730016 1
[/CIF]
| Ba4GeRu | F-43m | 216 | cubic | -43m | 5,446.418114 | false |
[CIF]
data_Li2BeBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68038915
_cell_length_b 4.68038915
_cell_length_c 4.68038915
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2BeBi
_chemical_formula_sum 'Li2 Be1 Bi1'
_cell_volume 72.49881286
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 3.30953491 3.30953491 3.30953491 1
Bi Bi1 1 4.96430236 4.96430236 4.96430236 1
Li Li2 1 0.00000000 0.00000000 0.00000000 1
Li Li3 1 1.65476745 1.65476745 1.65476745 1
[/CIF]
| BeBiLi2 | F-43m | 216 | cubic | -43m | 5,310.939404 | false |
[CIF]
data_HfO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53553391
_cell_length_b 3.53553391
_cell_length_c 3.53553391
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfO2
_chemical_formula_sum 'Hf1 O2'
_cell_volume 31.25000000
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 0.00000000 0.00000000 0.00000000 1
O O1 1 1.25000000 1.25000000 1.25000000 1
O O2 1 3.75000000 3.75000000 3.75000000 1
[/CIF]
| HfO2 | Fm-3m | 225 | cubic | m-3m | 11,184.796015 | false |
[CIF]
data_Ti
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.89912932
_cell_length_b 2.89912932
_cell_length_c 2.89912932
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti
_chemical_formula_sum Ti1
_cell_volume 17.23009871
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ti Ti0 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Ti | Fm-3m | 225 | cubic | m-3m | 4,613.149631 | false |
[CIF]
data_Cu2ReMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.61828608
_cell_length_b 4.23987338
_cell_length_c 5.07237699
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.26496503
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu2ReMo
_chemical_formula_sum 'Cu2 Re1 Mo1'
_cell_volume 55.72464156
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu Cu0 1 2.21935464 0.00000000 0.02481175 1
Cu Cu1 1 2.19968254 2.11993669 1.21436217 1
Mo Mo2 1 0.89453099 0.00000000 2.48264068 1
Re Re3 1 0.13840735 2.11993669 3.80772742 1
[/CIF]
| Cu2MoRe | Pm | 6 | monoclinic | m | 12,195.512413 | false |
[CIF]
data_YCrAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.09366257
_cell_length_b 3.09366257
_cell_length_c 7.90539065
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YCrAg2
_chemical_formula_sum 'Y1 Cr1 Ag2'
_cell_volume 75.66050252
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 1.54683128 1.54683128 6.22016864 1
Ag Ag1 1 1.54683128 1.54683128 1.68522201 1
Cr Cr2 1 0.00000000 0.00000000 0.00000000 1
Y Y3 1 0.00000000 0.00000000 3.95269532 1
[/CIF]
| Ag2CrY | P4/mmm | 123 | tetragonal | 4/mmm | 7,827.226797 | false |
[CIF]
data_Ca2ZrP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05345654
_cell_length_b 5.05345654
_cell_length_c 5.05345654
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca2ZrP
_chemical_formula_sum 'Ca2 Zr1 P1'
_cell_volume 91.25372642
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 3.57333339 3.57333339 3.57333339 1
Ca Ca1 1 1.78666670 1.78666670 1.78666670 1
P P2 1 0.00000000 0.00000000 0.00000000 1
Zr Zr3 1 5.36000009 5.36000009 5.36000009 1
[/CIF]
| Ca2PZr | F-43m | 216 | cubic | -43m | 3,682.220335 | false |
[CIF]
data_SrMnAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97096022
_cell_length_b 4.97096022
_cell_length_c 4.97096022
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrMnAu2
_chemical_formula_sum 'Sr1 Mn1 Au2'
_cell_volume 86.85720803
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 3.51499968 3.51499968 3.51499968 1
Au Au1 1 1.75749984 1.75749984 1.75749984 1
Mn Mn2 1 0.00000000 0.00000000 0.00000000 1
Sr Sr3 1 5.27249952 5.27249952 5.27249952 1
[/CIF]
| Au2MnSr | F-43m | 216 | cubic | -43m | 10,256.656741 | false |
[CIF]
data_BeCuBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23232691
_cell_length_b 4.23232691
_cell_length_c 4.23232691
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeCuBi
_chemical_formula_sum 'Be1 Cu1 Bi1'
_cell_volume 53.60713783
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Bi Bi1 1 4.48906059 4.48906059 4.48906059 1
Cu Cu2 1 1.49635353 1.49635353 1.49635353 1
[/CIF]
| BeBiCu | F-43m | 216 | cubic | -43m | 8,720.962041 | false |
[CIF]
data_NaHfMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.15859841
_cell_length_b 3.15859841
_cell_length_c 9.85578212
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaHfMg2
_chemical_formula_sum 'Na1 Hf1 Mg2'
_cell_volume 98.32861430
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 0.00000000 0.00000000 4.92789106 1
Mg Mg1 1 1.57929921 1.57929921 7.11143476 1
Mg Mg2 1 1.57929921 1.57929921 2.74434736 1
Na Na3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| HfMg2Na | P4/mmm | 123 | tetragonal | 4/mmm | 4,223.428094 | false |
[CIF]
data_TiMnWC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08110593
_cell_length_b 4.08110593
_cell_length_c 4.08110593
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiMnWC
_chemical_formula_sum 'Ti1 Mn1 W1 C1'
_cell_volume 48.06385550
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ti Ti0 1 1.44288884 1.44288884 1.44288884 1
W W1 1 4.32866652 4.32866652 4.32866652 1
Mn Mn2 1 2.88577768 2.88577768 2.88577768 1
C C3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CMnTiW | F-43m | 216 | cubic | -43m | 10,318.138794 | false |
[CIF]
data_TiTlCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.89019384
_cell_length_b 6.89019384
_cell_length_c 6.89019384
_cell_angle_alpha 153.74949178
_cell_angle_beta 153.74949178
_cell_angle_gamma 37.46381567
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiTlCd
_chemical_formula_sum 'Ti1 Tl1 Cd1'
_cell_volume 63.89675055
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 0.00000000 0.00000000 12.91778666 1
Ti Ti1 1 0.00000000 -0.00000000 4.37388308 1
Tl Tl2 1 0.00000000 -0.00000000 8.80925498 1
[/CIF]
| CdTiTl | I4mm | 107 | tetragonal | 4mm | 9,476.762582 | false |
[CIF]
data_ZrTlZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05503747
_cell_length_b 5.05503747
_cell_length_c 5.44471139
_cell_angle_alpha 100.55358041
_cell_angle_beta 100.55358041
_cell_angle_gamma 36.83880008
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrTlZn2
_chemical_formula_sum 'Zr1 Tl1 Zn2'
_cell_volume 81.84902208
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tl Tl0 1 4.27052662 -0.00000000 2.67114803 1
Zn Zn1 1 1.62638839 -0.00000000 4.10329591 1
Zn Zn2 1 6.91466486 -0.00000000 1.23900015 1
Zr Zr3 1 -0.00000000 -0.00000000 0.00000000 1
[/CIF]
| TlZn2Zr | C2/m | 12 | monoclinic | 2/m | 8,650.067409 | false |
[CIF]
data_FeAg2Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03638581
_cell_length_b 4.03638581
_cell_length_c 4.37067231
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeAg2Hg
_chemical_formula_sum 'Fe1 Ag2 Hg1'
_cell_volume 71.20878703
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 2.01819290 0.00000000 2.18533615 1
Ag Ag1 1 0.00000000 2.01819290 2.18533615 1
Fe Fe2 1 0.00000000 0.00000000 0.00000000 1
Hg Hg3 1 2.01819290 2.01819290 0.00000000 1
[/CIF]
| Ag2FeHg | P4/mmm | 123 | tetragonal | 4/mmm | 11,010.706523 | false |
[CIF]
data_NaAlCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42314188
_cell_length_b 4.42314188
_cell_length_c 4.42314188
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaAlCu2
_chemical_formula_sum 'Na1 Al1 Cu2'
_cell_volume 61.18960001
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 3.12763362 3.12763362 3.12763362 1
Cu Cu1 1 4.69145043 4.69145043 4.69145043 1
Cu Cu2 1 1.56381681 1.56381681 1.56381681 1
Na Na3 1 -0.00000000 -0.00000000 0.00000000 1
[/CIF]
| AlCu2Na | Fm-3m | 225 | cubic | m-3m | 4,805.073737 | false |
[CIF]
data_NbNiSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97382221
_cell_length_b 4.95727731
_cell_length_c 3.22159230
_cell_angle_alpha 71.34968657
_cell_angle_beta 70.79300869
_cell_angle_gamma 37.85730474
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbNiSe
_chemical_formula_sum 'Nb1 Ni1 Se1'
_cell_volume 45.78687180
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nb Nb0 1 2.25990573 2.29597104 0.02573772 1
Ni Ni1 1 2.25990573 2.29597104 5.90180504 1
Se Se2 1 2.25990573 2.29597104 2.89683810 1
[/CIF]
| NbNiSe | Fmm2 | 42 | orthorhombic | mm2 | 8,361.644001 | false |
[CIF]
data_NaMoAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.80023507
_cell_length_b 7.80023507
_cell_length_c 7.80023507
_cell_angle_alpha 156.43861176
_cell_angle_beta 154.16165878
_cell_angle_gamma 35.24820466
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaMoAs2
_chemical_formula_sum 'Na1 Mo1 As2'
_cell_volume 82.58751199
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 -0.00000000 1.74394730 7.01900338 1
As As1 1 -0.00000000 -0.00000000 10.05509141 1
Mo Mo2 1 -0.00000000 1.74394730 0.69778033 1
Na Na3 1 -0.00000000 0.00000000 4.53048040 1
[/CIF]
| As2MoNa | Imm2 | 44 | orthorhombic | mm2 | 5,404.46389 | false |
[CIF]
data_Ti5As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.75950600
_cell_length_b 6.75950600
_cell_length_c 3.98885076
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 147.58056792
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti5As
_chemical_formula_sum 'Ti5 As1'
_cell_volume 97.70890356
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 1.88694277 -0.00000000 1.99442538 1
Ti Ti1 1 1.88694277 -4.32536436 1.99442538 1
Ti Ti2 1 1.88694277 4.32536436 1.99442538 1
Ti Ti3 1 0.00000000 0.00000000 0.00000000 1
Ti Ti4 1 1.88694277 2.15705953 0.00000000 1
Ti Ti5 1 1.88694277 -2.15705953 0.00000000 1
[/CIF]
| AsTi5 | Cmmm | 65 | orthorhombic | mmm | 5,340.714533 | false |
[CIF]
data_AlNi2B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54863784
_cell_length_b 3.54863784
_cell_length_c 3.18979782
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlNi2B
_chemical_formula_sum 'Al1 Ni2 B1'
_cell_volume 40.16858330
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 1.77431892 1.77431892 0.00000000 1
B B1 1 0.00000000 0.00000000 0.00000000 1
Ni Ni2 1 0.00000000 1.77431892 1.59489891 1
Ni Ni3 1 1.77431892 0.00000000 1.59489891 1
[/CIF]
| AlBNi2 | P4/mmm | 123 | tetragonal | 4/mmm | 6,415.056879 | false |
[CIF]
data_SmMgCrS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.63420751
_cell_length_b 7.63420751
_cell_length_c 7.63420751
_cell_angle_alpha 120.67432512
_cell_angle_beta 119.10023890
_cell_angle_gamma 90.20073153
_symmetry_Int_Tables_number 1
_chemical_formula_structural SmMgCrS4
_chemical_formula_sum 'Sm2 Mg2 Cr2 S8'
_cell_volume 315.07306593
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sm Sm0 1 0.00000000 0.00000000 0.00000000 1
Sm Sm1 1 0.00000000 3.86889773 -0.00000000 1
Mg Mg2 1 3.77813236 1.93444886 -1.33811367 1
Mg Mg3 1 -0.00000000 1.93444886 6.72684920 1
Cr Cr4 1 1.88906618 1.93444886 2.69436776 1
Cr Cr5 1 -1.88906618 1.93444886 2.69436776 1
S S6 1 -0.00000000 3.58619764 2.77485990 1
S S7 1 -1.86025445 1.93444886 5.14889757 1
S S8 1 1.86025445 1.93444886 5.14889757 1
S S9 1 3.77813236 3.58619764 2.61387563 1
S S10 1 1.91787792 1.93444886 0.23983796 1
S S11 1 0.00000000 0.28270009 2.77485990 1
S S12 1 3.77813236 0.28270009 2.61387563 1
S S13 1 5.63838681 1.93444886 0.23983796 1
[/CIF]
| Cr2Mg2S8Sm2 | Imma | 74 | orthorhombic | mmm | 3,741.10274 | false |
[CIF]
data_KSrFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.66886300
_cell_length_b 5.66886300
_cell_length_c 5.66886300
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KSrFe
_chemical_formula_sum 'K1 Sr1 Fe1'
_cell_volume 128.81691287
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 4.00849147 4.00849147 4.00849147 1
K K1 1 0.00000000 0.00000000 0.00000000 1
Sr Sr2 1 6.01273721 6.01273721 6.01273721 1
[/CIF]
| FeKSr | F-43m | 216 | cubic | -43m | 2,353.367155 | false |
[CIF]
data_Ca2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.43534302
_cell_length_b 7.43534302
_cell_length_c 7.43534302
_cell_angle_alpha 151.72687864
_cell_angle_beta 151.72687864
_cell_angle_gamma 40.41228516
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca2Cl
_chemical_formula_sum 'Ca2 Cl1'
_cell_volume 92.04254413
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 0.00000000 -0.00000000 4.86810283 1
Ca Ca1 1 0.00000000 -0.00000000 9.08738169 1
Cl Cl2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Ca2Cl | I4/mmm | 139 | tetragonal | 4/mmm | 2,085.701376 | false |
[CIF]
data_Sc3AuC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49374803
_cell_length_b 4.49374803
_cell_length_c 4.49374803
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc3AuC
_chemical_formula_sum 'Sc3 Au1 C1'
_cell_volume 90.74572025
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc Sc0 1 0.00000000 2.24687401 0.00000000 1
Sc Sc1 1 0.00000000 0.00000000 2.24687401 1
Sc Sc2 1 2.24687401 0.00000000 0.00000000 1
C C3 1 0.00000000 0.00000000 0.00000000 1
Au Au4 1 2.24687401 2.24687401 2.24687401 1
[/CIF]
| CAuSc3 | Pm-3m | 221 | cubic | m-3m | 6,291.955831 | false |
[CIF]
data_SmHf2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94867125
_cell_length_b 4.94867125
_cell_length_c 4.94867125
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SmHf2W
_chemical_formula_sum 'Sm1 Hf2 W1'
_cell_volume 85.69407866
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 5.24885850 5.24885850 5.24885850 1
Hf Hf1 1 1.74961950 1.74961950 1.74961950 1
Sm Sm2 1 0.00000000 0.00000000 0.00000000 1
W W3 1 3.49923900 3.49923900 3.49923900 1
[/CIF]
| Hf2SmW | Fm-3m | 225 | cubic | m-3m | 13,393.357044 | false |
[CIF]
data_KTaPdRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69705763
_cell_length_b 4.69705763
_cell_length_c 4.69705763
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KTaPdRu
_chemical_formula_sum 'K1 Ta1 Pd1 Ru1'
_cell_volume 73.27615416
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K K0 1 -0.00000000 -0.00000000 -0.00000000 1
Pd Pd1 1 4.98198195 4.98198195 4.98198195 1
Ru Ru2 1 1.66066065 1.66066065 1.66066065 1
Ta Ta3 1 3.32132130 3.32132130 3.32132130 1
[/CIF]
| KPdRuTa | F-43m | 216 | cubic | -43m | 9,688.561543 | false |
[CIF]
data_LaBi2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56224338
_cell_length_b 4.56224338
_cell_length_c 6.50424773
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaBi2Br
_chemical_formula_sum 'La1 Bi2 Br1'
_cell_volume 135.37983281
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 2.28112169 2.28112169 4.70913637 1
Bi Bi1 1 2.28112169 2.28112169 1.79511136 1
Br Br2 1 0.00000000 0.00000000 0.00000000 1
La La3 1 0.00000000 0.00000000 3.25212387 1
[/CIF]
| Bi2BrLa | P4/mmm | 123 | tetragonal | 4/mmm | 7,810.4832 | false |
[CIF]
data_Y3C2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63737806
_cell_length_b 3.63737806
_cell_length_c 9.27644688
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y3C2
_chemical_formula_sum 'Y3 C2'
_cell_volume 106.28920992
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.81868903 1.05002060 1.59878068 1
C C1 1 0.00000000 2.10004120 7.67766620 1
Y Y2 1 0.00000000 0.00000000 0.00000000 1
Y Y3 1 1.81868903 1.05002060 6.53287241 1
Y Y4 1 0.00000000 2.10004120 2.74357447 1
[/CIF]
| C2Y3 | P-3m1 | 164 | trigonal | -3m | 4,542.167401 | false |
[CIF]
data_V5Pd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30591794
_cell_length_b 5.30591794
_cell_length_c 4.11244736
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 103.41559896
_symmetry_Int_Tables_number 1
_chemical_formula_structural V5Pd3
_chemical_formula_sum 'V5 Pd3'
_cell_volume 112.61753529
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pd Pd0 1 3.28792983 0.00000000 0.00000000 1
Pd Pd1 1 1.47081609 0.00000000 2.05622368 1
Pd Pd2 1 5.10504357 -0.00000000 2.05622368 1
V V3 1 0.00000000 0.00000000 0.00000000 1
V V4 1 1.64396492 2.08220332 0.00000000 1
V V5 1 1.64396492 -2.08220332 0.00000000 1
V V6 1 3.28792983 -1.85934993 2.05622368 1
V V7 1 3.28792983 1.85934993 2.05622368 1
[/CIF]
| Pd3V5 | Cmmm | 65 | orthorhombic | mmm | 8,463.117704 | false |
[CIF]
data_La3Y
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.22293075
_cell_length_b 5.22293075
_cell_length_c 5.22293075
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural La3Y
_chemical_formula_sum 'La3 Y1'
_cell_volume 142.47635728
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La La0 1 0.00000000 2.61146538 2.61146538 1
La La1 1 2.61146538 0.00000000 2.61146538 1
La La2 1 2.61146538 2.61146538 0.00000000 1
Y Y3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| La3Y | Pm-3m | 221 | cubic | m-3m | 5,892.946252 | false |
[CIF]
data_YNbGa2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60539057
_cell_length_b 5.60539057
_cell_length_c 5.60539057
_cell_angle_alpha 137.53156993
_cell_angle_beta 137.53156993
_cell_angle_gamma 61.62118364
_symmetry_Int_Tables_number 1
_chemical_formula_structural YNbGa2
_chemical_formula_sum 'Y1 Nb1 Ga2'
_cell_volume 79.36967240
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 0.00000000 2.03016740 2.40713752 1
Ga Ga1 1 0.00000000 0.00000000 0.00000000 1
Nb Nb2 1 2.03016740 -0.00000000 2.40713752 1
Y Y3 1 0.00000000 0.00000000 4.81427503 1
[/CIF]
| Ga2NbY | I-4m2 | 119 | tetragonal | -42m | 6,721.230229 | false |
[CIF]
data_NaLiMoPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51058303
_cell_length_b 4.51058303
_cell_length_c 4.51058303
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaLiMoPd
_chemical_formula_sum 'Na1 Li1 Mo1 Pd1'
_cell_volume 64.89078801
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li Li0 1 0.00000000 0.00000000 0.00000000 1
Mo Mo1 1 1.59473193 1.59473193 1.59473192 1
Na Na2 1 4.78419578 4.78419578 4.78419578 1
Pd Pd3 1 3.18946385 3.18946385 3.18946385 1
[/CIF]
| LiMoNaPd | F-43m | 216 | cubic | -43m | 5,944.774595 | false |
[CIF]
data_In2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67025790
_cell_length_b 4.67025790
_cell_length_c 3.19023538
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural In2Ir
_chemical_formula_sum 'In2 Ir1'
_cell_volume 60.26082686
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 2.33512895 1.34818733 0.79903883 1
In In1 1 -0.00000000 2.69637466 2.39119655 1
Ir Ir2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| In2Ir | P-3m1 | 164 | trigonal | -3m | 11,621.920111 | false |
[CIF]
data_LiVMoOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28605586
_cell_length_b 4.28605586
_cell_length_c 4.28605586
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiVMoOs
_chemical_formula_sum 'Li1 V1 Mo1 Os1'
_cell_volume 55.67477640
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li Li0 1 0.00000000 0.00000000 0.00000000 1
Mo Mo1 1 3.03069916 3.03069916 3.03069916 1
Os Os2 1 4.54604874 4.54604874 4.54604874 1
V V3 1 1.51534958 1.51534958 1.51534958 1
[/CIF]
| LiMoOsV | F-43m | 216 | cubic | -43m | 10,262.202473 | false |
[CIF]
data_Mg2CuNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.08431375
_cell_length_b 3.08431375
_cell_length_c 6.59057968
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg2CuNi
_chemical_formula_sum 'Mg2 Cu1 Ni1'
_cell_volume 62.69612701
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu Cu0 1 1.54215687 1.54215687 4.71720991 1
Mg Mg1 1 0.00000000 0.00000000 6.27084239 1
Mg Mg2 1 1.54215687 1.54215687 2.00568528 1
Ni Ni3 1 0.00000000 0.00000000 3.48271169 1
[/CIF]
| CuMg2Ni | P4mm | 99 | tetragonal | 4mm | 4,525.081758 | false |
[CIF]
data_ZrTcS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58577844
_cell_length_b 4.58577844
_cell_length_c 4.58577844
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrTcS3
_chemical_formula_sum 'Zr1 Tc1 S3'
_cell_volume 96.43600358
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
S S0 1 2.29288922 0.00000000 2.29288922 1
S S1 1 2.29288922 2.29288922 0.00000000 1
S S2 1 0.00000000 2.29288922 2.29288922 1
Tc Tc3 1 2.29288922 2.29288922 2.29288922 1
Zr Zr4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| S3TcZr | Pm-3m | 221 | cubic | m-3m | 4,930.255949 | false |
[CIF]
data_AlBiRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10793631
_cell_length_b 3.10793631
_cell_length_c 7.05783920
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 91.47839556
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlBiRh2
_chemical_formula_sum 'Al1 Bi1 Rh2'
_cell_volume 68.15086794
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 0.00000000 1
Bi Bi1 1 0.00000000 0.00000000 3.52891960 1
Rh Rh2 1 2.16910799 0.00000000 5.62488399 1
Rh Rh3 1 2.16910799 0.00000000 1.43295521 1
[/CIF]
| AlBiRh2 | Cmmm | 65 | orthorhombic | mmm | 10,764.077483 | false |
[CIF]
data_YHf2Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34447386
_cell_length_b 4.54692035
_cell_length_c 6.27666999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YHf2Hg
_chemical_formula_sum 'Y1 Hf2 Hg1'
_cell_volume 95.44967363
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 1.67223693 2.27346017 1.56805634 1
Hf Hf1 1 1.67223693 2.27346017 4.70861365 1
Hg Hg2 1 0.00000000 0.00000000 3.13833500 1
Y Y3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Hf2HgY | Pmmm | 47 | orthorhombic | mmm | 11,246.747776 | false |
[CIF]
data_Ho3Ta
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71249660
_cell_length_b 4.71249660
_cell_length_c 4.71249660
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho3Ta
_chemical_formula_sum 'Ho3 Ta1'
_cell_volume 104.65335356
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ho Ho0 1 2.35624830 2.35624830 0.00000000 1
Ho Ho1 1 2.35624830 0.00000000 2.35624830 1
Ho Ho2 1 0.00000000 2.35624830 2.35624830 1
Ta Ta3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Ho3Ta | Pm-3m | 221 | cubic | m-3m | 10,721.975976 | false |
[CIF]
data_TaZnCuPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35626244
_cell_length_b 4.35626244
_cell_length_c 4.35626244
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaZnCuPd
_chemical_formula_sum 'Ta1 Zn1 Cu1 Pd1'
_cell_volume 58.45573268
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu Cu0 1 0.00000000 0.00000000 0.00000000 1
Pd Pd1 1 4.62051407 4.62051407 4.62051407 1
Ta Ta2 1 1.54017136 1.54017136 1.54017136 1
Zn Zn3 1 3.08034271 3.08034271 3.08034271 1
[/CIF]
| CuPdTaZn | F-43m | 216 | cubic | -43m | 11,825.568157 | false |
[CIF]
data_Zr2ZnAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.34524012
_cell_length_b 9.34524012
_cell_length_c 9.34524012
_cell_angle_alpha 19.94811803
_cell_angle_beta 19.94811803
_cell_angle_gamma 19.94811803
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr2ZnAg
_chemical_formula_sum 'Zr2 Zn1 Ag1'
_cell_volume 83.10078924
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 0.00000000 -0.00000000 13.89827011 1
Zn Zn1 1 0.00000000 0.00000000 6.77514600 1
Zr Zr2 1 0.00000000 -0.00000000 27.36086912 1
Zr Zr3 1 -0.00000000 -0.00000000 20.63897043 1
[/CIF]
| AgZnZr2 | R3m | 160 | trigonal | 3m | 7,107.603205 | false |
[CIF]
data_ZnPSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78434085
_cell_length_b 3.78434085
_cell_length_c 5.35092002
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnPSe2
_chemical_formula_sum 'Zn1 P1 Se2'
_cell_volume 76.63178665
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
P P0 1 0.00000000 0.00000000 0.00000000 1
Se Se1 1 1.89217043 1.89217043 0.00000000 1
Se Se2 1 0.00000000 0.00000000 2.67546001 1
Zn Zn3 1 1.89217043 1.89217043 2.67546001 1
[/CIF]
| PSe2Zn | P4/mmm | 123 | tetragonal | 4/mmm | 5,510.06481 | false |
[CIF]
data_Tm2LuZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21822444
_cell_length_b 5.21822444
_cell_length_c 5.21822444
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm2LuZn
_chemical_formula_sum 'Tm2 Lu1 Zn1'
_cell_volume 100.47390150
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Lu Lu0 1 3.68984189 3.68984189 3.68984189 1
Tm Tm1 1 1.84492095 1.84492095 1.84492095 1
Tm Tm2 1 5.53476284 5.53476284 5.53476284 1
Zn Zn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| LuTm2Zn | Fm-3m | 225 | cubic | m-3m | 9,556.202629 | false |
[CIF]
data_Nb2AsPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56379020
_cell_length_b 4.56379020
_cell_length_c 4.56379020
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nb2AsPt
_chemical_formula_sum 'Nb2 As1 Pt1'
_cell_volume 67.21435217
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 -0.00000000 -0.00000000 0.00000000 1
Nb Nb1 1 4.84063050 4.84063050 4.84063050 1
Nb Nb2 1 1.61354350 1.61354350 1.61354350 1
Pt Pt3 1 3.22708700 3.22708700 3.22708700 1
[/CIF]
| AsNb2Pt | Fm-3m | 225 | cubic | m-3m | 11,261.050201 | false |
[CIF]
data_Ba2LiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05156246
_cell_length_b 4.05156246
_cell_length_c 8.65577763
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 91.00685880
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba2LiP
_chemical_formula_sum 'Ba2 Li1 P1'
_cell_volume 142.06402212
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 2.83960469 0.00000000 6.01540918 1
Ba Ba1 1 2.83960469 0.00000000 2.64036845 1
Li Li2 1 0.00000000 0.00000000 0.00000000 1
P P3 1 0.00000000 0.00000000 4.32788881 1
[/CIF]
| Ba2LiP | Cmmm | 65 | orthorhombic | mmm | 3,653.512216 | false |
[CIF]
data_Na2CrW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.12940544
_cell_length_b 11.12940544
_cell_length_c 11.12940544
_cell_angle_alpha 14.31901831
_cell_angle_beta 14.31901831
_cell_angle_gamma 14.31901831
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2CrW
_chemical_formula_sum 'Na2 Cr1 W1'
_cell_volume 73.40432370
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr Cr0 1 -0.00000000 -0.00000000 25.00612272 1
Na Na1 1 0.00000000 -0.00000000 0.25230474 1
Na Na2 1 -0.00000000 -0.00000000 8.07686645 1
W W3 1 0.00000000 0.00000000 16.22569280 1
[/CIF]
| CrNa2W | R3m | 160 | trigonal | 3m | 6,375.181383 | false |
[CIF]
data_ZrPd2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.89483154
_cell_length_b 2.89483154
_cell_length_c 7.91370661
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrPd2Rh
_chemical_formula_sum 'Zr1 Pd2 Rh1'
_cell_volume 66.31725423
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pd Pd0 1 1.44741577 1.44741577 2.05047747 1
Pd Pd1 1 1.44741577 1.44741577 5.86322914 1
Rh Rh2 1 0.00000000 0.00000000 3.95685331 1
Zr Zr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Pd2RhZr | P4/mmm | 123 | tetragonal | 4/mmm | 10,190.289276 | false |
[CIF]
data_Mn3RhN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82085204
_cell_length_b 4.82085204
_cell_length_c 4.82085204
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn3RhN
_chemical_formula_sum 'Mn3 Rh1 N1'
_cell_volume 112.03956330
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn Mn0 1 2.41042602 0.00000000 2.41042602 1
Mn Mn1 1 2.41042602 2.41042602 0.00000000 1
Mn Mn2 1 0.00000000 2.41042602 2.41042602 1
Rh Rh3 1 2.41042602 2.41042602 2.41042602 1
N N4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Mn3NRh | Pm-3m | 221 | cubic | m-3m | 4,175.467768 | false |
[CIF]
data_HfMgFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45178027
_cell_length_b 4.45178027
_cell_length_c 4.45178027
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfMgFe2
_chemical_formula_sum 'Hf1 Mg1 Fe2'
_cell_volume 62.38585973
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 4.72182603 4.72182603 4.72182603 1
Fe Fe1 1 3.14788402 3.14788402 3.14788402 1
Hf Hf2 1 1.57394201 1.57394201 1.57394201 1
Mg Mg3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Fe2HfMg | F-43m | 216 | cubic | -43m | 8,370.721035 | false |
[CIF]
data_MnAlZnW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25256172
_cell_length_b 4.25256172
_cell_length_c 4.25256172
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnAlZnW
_chemical_formula_sum 'Mn1 Al1 Zn1 W1'
_cell_volume 54.37970895
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 0.00000000 1
Mn Mn1 1 4.51052284 4.51052285 4.51052285 1
W W2 1 3.00701523 3.00701523 3.00701523 1
Zn Zn3 1 1.50350761 1.50350761 1.50350761 1
[/CIF]
| AlMnWZn | F-43m | 216 | cubic | -43m | 10,111.679993 | false |
[CIF]
data_KInHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.49696006
_cell_length_b 4.68854448
_cell_length_c 7.65810567
_cell_angle_alpha 90.00000000
_cell_angle_beta 99.83743863
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KInHg2
_chemical_formula_sum 'K1 In1 Hg2'
_cell_volume 123.71347136
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 1.71353962 2.34427224 2.08611792 1
Hg Hg1 1 0.47500739 2.34427224 5.45938655 1
In In2 1 -0.65420652 0.00000000 3.77275223 1
K K3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Hg2InK | P2/m | 10 | monoclinic | 2/m | 7,450.75764 | false |
[CIF]
data_LaPbAu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75973080
_cell_length_b 5.75973080
_cell_length_c 5.75973080
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaPbAu4
_chemical_formula_sum 'La1 Pb1 Au4'
_cell_volume 135.11126509
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 3.05417757 3.05417757 5.09131185 1
Au Au1 1 3.05417757 5.09131185 3.05417757 1
Au Au2 1 5.09131185 3.05417757 3.05417757 1
Au Au3 1 5.09131185 5.09131185 5.09131185 1
La La4 1 0.00000000 0.00000000 0.00000000 1
Pb Pb5 1 2.03637236 2.03637236 2.03637236 1
[/CIF]
| Au4LaPb | F-43m | 216 | cubic | -43m | 13,936.694201 | false |
[CIF]
data_ZnGaOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74836664
_cell_length_b 4.74836664
_cell_length_c 2.73469218
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 109.68401300
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnGaOs2
_chemical_formula_sum 'Zn1 Ga1 Os2'
_cell_volume 58.05599136
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 2.73426654 0.00000000 0.00000000 1
Os Os1 1 1.36713327 -1.94105463 1.36734609 1
Os Os2 1 1.36713327 1.94105463 1.36734609 1
Zn Zn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| GaOs2Zn | Cmmm | 65 | orthorhombic | mmm | 14,746.324759 | false |
[CIF]
data_TiCu3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49012600
_cell_length_b 2.99788800
_cell_length_c 5.97359009
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.93910749
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiCu3O4
_chemical_formula_sum 'Ti1 Cu3 O4'
_cell_volume 94.53809660
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ti Ti0 1 0.00000000 0.00000000 0.00000000 1
Cu Cu1 1 -0.82022050 1.49894400 2.87196500 1
Cu Cu2 1 1.92484250 0.00000000 2.87196500 1
Cu Cu3 1 2.74506300 1.49894400 0.00000000 1
O O4 1 2.07116565 0.00000000 4.73800128 1
O O5 1 -0.96192641 1.49894400 4.66818381 1
O O6 1 1.77851935 0.00000000 1.00592872 1
O O7 1 4.81161141 1.49894400 1.07574619 1
[/CIF]
| Cu3O4Ti | P2/m | 10 | monoclinic | 2/m | 5,313.385853 | false |
[CIF]
data_NbCoCuRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25807810
_cell_length_b 4.25807810
_cell_length_c 4.25807810
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbCoCuRh
_chemical_formula_sum 'Nb1 Co1 Cu1 Rh1'
_cell_volume 54.59160603
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 0.00000000 -0.00000000 0.00000000 1
Cu Cu1 1 4.51637385 4.51637385 4.51637385 1
Nb Nb2 1 1.50545795 1.50545795 1.50545795 1
Rh Rh3 1 3.01091590 3.01091590 3.01091590 1
[/CIF]
| CoCuNbRh | F-43m | 216 | cubic | -43m | 9,681.612304 | false |
[CIF]
data_BaLaVCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43198499
_cell_length_b 5.43198499
_cell_length_c 5.43198499
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaLaVCu
_chemical_formula_sum 'Ba1 La1 V1 Cu1'
_cell_volume 113.33412218
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 5.76149013 5.76149013 5.76149013 1
Cu Cu1 1 3.84099342 3.84099342 3.84099342 1
La La2 1 1.92049671 1.92049671 1.92049671 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BaCuLaV | F-43m | 216 | cubic | -43m | 5,724.716985 | false |
[CIF]
data_NbCoPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84139758
_cell_length_b 4.84139758
_cell_length_c 4.84139758
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbCoPb2
_chemical_formula_sum 'Nb1 Co1 Pb2'
_cell_volume 80.24116930
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 0.00000000 0.00000000 0.00000000 1
Nb Nb1 1 3.42338506 3.42338506 3.42338506 1
Pb Pb2 1 5.13507759 5.13507759 5.13507759 1
Pb Pb3 1 1.71169253 1.71169253 1.71169253 1
[/CIF]
| CoNbPb2 | Fm-3m | 225 | cubic | m-3m | 11,717.961534 | false |
[CIF]
data_CoRu2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.77404217
_cell_length_b 4.77404217
_cell_length_c 4.77404217
_cell_angle_alpha 133.53093542
_cell_angle_beta 133.53093542
_cell_angle_gamma 67.82156714
_symmetry_Int_Tables_number 1
_chemical_formula_structural CoRu2Au
_chemical_formula_sum 'Co1 Ru2 Au1'
_cell_volume 56.21252614
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 0.00000000 -0.00000000 3.96201244 1
Co Co1 1 0.00000000 0.00000000 0.00000000 1
Ru Ru2 1 1.88333960 0.00000000 1.98100622 1
Ru Ru3 1 0.00000000 1.88333960 1.98100622 1
[/CIF]
| AuCoRu2 | I4/mmm | 139 | tetragonal | 4/mmm | 13,530.666107 | false |
[CIF]
data_Ta3IrAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82822802
_cell_length_b 4.82822802
_cell_length_c 4.82822802
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta3IrAu
_chemical_formula_sum 'Ta3 Ir1 Au1'
_cell_volume 112.55461746
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ir Ir0 1 0.00000000 0.00000000 0.00000000 1
Au Au1 1 2.41411401 2.41411401 2.41411401 1
Ta Ta2 1 0.00000000 2.41411401 0.00000000 1
Ta Ta3 1 0.00000000 0.00000000 2.41411401 1
Ta Ta4 1 2.41411401 0.00000000 0.00000000 1
[/CIF]
| AuIrTa3 | Pm-3m | 221 | cubic | m-3m | 13,750.369613 | false |
[CIF]
data_HfBi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.26091982
_cell_length_b 6.26091982
_cell_length_c 6.26091982
_cell_angle_alpha 147.86587794
_cell_angle_beta 72.65012383
_cell_angle_gamma 116.83357946
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfBi3
_chemical_formula_sum 'Hf1 Bi3'
_cell_volume 114.64384681
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 -0.00000000 3.01728763 0.12425449 1
Bi Bi1 1 -0.00000000 7.07117353 0.12425449 1
Bi Bi2 1 -0.00000000 5.04423058 2.45792981 1
Hf Hf3 1 0.00000000 0.00000000 1.66567774 1
[/CIF]
| Bi3Hf | Imm2 | 44 | orthorhombic | mm2 | 11,666.129585 | false |
[CIF]
data_AsP2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87873043
_cell_length_b 4.87873043
_cell_length_c 3.11280173
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AsP2Br
_chemical_formula_sum 'As1 P2 Br1'
_cell_volume 74.09093980
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 0.00000000 0.00000000 0.00000000 1
Br Br1 1 2.43936522 2.43936522 0.00000000 1
P P2 1 2.43936522 0.00000000 1.55640087 1
P P3 1 0.00000000 2.43936522 1.55640087 1
[/CIF]
| AsBrP2 | P4/mmm | 123 | tetragonal | 4/mmm | 4,858.357067 | false |
[CIF]
data_MnAlHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42830874
_cell_length_b 4.42830874
_cell_length_c 4.42830874
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnAlHg
_chemical_formula_sum 'Mn1 Al1 Hg1'
_cell_volume 61.40428501
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 0.00000000 1
Hg Hg1 1 4.69693071 4.69693071 4.69693071 1
Mn Mn2 1 3.13128714 3.13128714 3.13128714 1
[/CIF]
| AlHgMn | F-43m | 216 | cubic | -43m | 7,639.828396 | false |
[CIF]
data_TlCu2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57571827
_cell_length_b 4.57571827
_cell_length_c 4.57571827
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlCu2Au
_chemical_formula_sum 'Tl1 Cu2 Au1'
_cell_volume 67.74275169
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 3.23552142 3.23552142 3.23552142 1
Cu Cu1 1 0.00000000 0.00000000 0.00000000 1
Cu Cu2 1 4.85328213 4.85328213 4.85328213 1
Tl Tl3 1 1.61776071 1.61776071 1.61776071 1
[/CIF]
| AuCu2Tl | F-43m | 216 | cubic | -43m | 12,953.391263 | false |
[CIF]
data_KCd4Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76196965
_cell_length_b 5.76196965
_cell_length_c 5.76196965
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KCd4Os
_chemical_formula_sum 'K1 Cd4 Os1'
_cell_volume 135.26888199
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 3.06491369 3.06491369 5.08374193 1
Cd Cd1 1 3.06491369 5.08374193 3.06491369 1
Cd Cd2 1 5.08374193 3.06491369 3.06491369 1
Cd Cd3 1 5.08374193 5.08374193 5.08374193 1
K K4 1 0.00000000 0.00000000 0.00000000 1
Os Os5 1 2.03716390 2.03716390 2.03716390 1
[/CIF]
| Cd4KOs | F-43m | 216 | cubic | -43m | 8,334.954889 | false |
[CIF]
data_Ta2NiBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.96228785
_cell_length_b 4.08336203
_cell_length_c 5.73708189
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.70493312
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta2NiBr
_chemical_formula_sum 'Ta2 Ni1 Br1'
_cell_volume 67.12326778
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Br Br0 1 0.75298998 0.00000000 2.77458447 1
Ni Ni1 1 0.00000000 0.00000000 0.00000000 1
Ta Ta2 1 1.80988466 2.04168101 1.28629969 1
Ta Ta3 1 -0.30390469 2.04168101 4.26286925 1
[/CIF]
| BrNiTa2 | P2/m | 10 | monoclinic | 2/m | 12,381.525398 | false |
[CIF]
data_NaSnIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57425704
_cell_length_b 4.57425704
_cell_length_c 4.57425704
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaSnIr2
_chemical_formula_sum 'Na1 Sn1 Ir2'
_cell_volume 67.67787234
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ir Ir0 1 3.23448817 3.23448817 3.23448817 1
Ir Ir1 1 1.61724408 1.61724408 1.61724409 1
Na Na2 1 -0.00000000 -0.00000000 0.00000000 1
Sn Sn3 1 4.85173226 4.85173226 4.85173226 1
[/CIF]
| Ir2NaSn | F-43m | 216 | cubic | -43m | 12,909.177667 | false |
[CIF]
data_RePt7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60023006
_cell_length_b 5.60023006
_cell_length_c 5.60023006
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural RePt7
_chemical_formula_sum 'Re1 Pt7'
_cell_volume 124.19456961
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pt Pt0 1 1.97998033 1.97998033 0.00000000 1
Pt Pt1 1 1.97998033 0.00000000 1.97998033 1
Pt Pt2 1 3.95996065 1.97998033 1.97998032 1
Pt Pt3 1 0.00000000 1.97998033 1.97998033 1
Pt Pt4 1 1.97998033 3.95996065 1.97998032 1
Pt Pt5 1 1.97998033 1.97998033 3.95996065 1
Pt Pt6 1 3.95996065 3.95996065 3.95996065 1
Re Re7 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Pt7Re | Fm-3m | 225 | cubic | m-3m | 20,748.21974 | false |
[CIF]
data_Si3BW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75121804
_cell_length_b 4.75121804
_cell_length_c 4.75121804
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Si3BW
_chemical_formula_sum 'Si3 B1 W1'
_cell_volume 107.25434223
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Si Si0 1 2.37560902 0.00000000 2.37560902 1
Si Si1 1 2.37560902 2.37560902 0.00000000 1
Si Si2 1 0.00000000 2.37560902 2.37560902 1
B B3 1 0.00000000 0.00000000 0.00000000 1
W W4 1 2.37560902 2.37560902 2.37560902 1
[/CIF]
| BSi3W | Pm-3m | 221 | cubic | m-3m | 4,318.117011 | false |
[CIF]
data_Hf2GeB
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.99012582
_cell_length_b 2.99012582
_cell_length_c 7.38511541
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 101.54223874
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2GeB
_chemical_formula_sum 'Hf2 Ge1 B1'
_cell_volume 64.69394851
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 0.00000000 0.00000000 0.00000000 1
Ge Ge1 1 0.00000000 0.00000000 3.69255770 1
Hf Hf2 1 1.89101490 0.00000000 5.84125807 1
Hf Hf3 1 1.89101490 0.00000000 1.54385734 1
[/CIF]
| BGeHf2 | Cmmm | 65 | orthorhombic | mmm | 11,304.811323 | false |
[CIF]
data_Se2SN2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.91009100
_cell_length_b 15.34875100
_cell_length_c 8.58611400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Se2SN2Cl
_chemical_formula_sum 'Se16 S8 N16 Cl8'
_cell_volume 1042.44024796
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 2.24510776 9.00769587 5.11481203 1
Cl Cl1 1 6.20015326 9.00769587 7.76435897 1
Cl Cl2 1 2.24510776 14.01543063 0.82175503 1
Cl Cl3 1 6.20015326 14.01543063 3.47130197 1
Cl Cl4 1 1.70993774 1.33332037 5.11481203 1
Cl Cl5 1 5.66498324 1.33332037 7.76435897 1
Cl Cl6 1 1.70993774 6.34105513 0.82175503 1
Cl Cl7 1 5.66498324 6.34105513 3.47130197 1
N N8 1 0.34629785 10.01331580 2.37047200 1
N N9 1 4.30134335 10.01331580 1.92258500 1
N N10 1 3.13953766 10.58059581 8.21335202 1
N N11 1 7.09458316 10.58059581 4.66581898 1
N N12 1 3.13953766 12.44253069 3.92029502 1
N N13 1 7.09458316 12.44253069 0.37276198 1
N N14 1 0.34629785 13.00981070 6.66352900 1
N N15 1 4.30134335 13.00981070 6.21564200 1
N N16 1 3.60874765 2.33894030 2.37047200 1
N N17 1 7.56379315 2.33894030 1.92258500 1
N N18 1 0.81550784 2.90622031 8.21335202 1
N N19 1 4.77055334 2.90622031 4.66581898 1
N N20 1 0.81550784 4.76815519 3.92029502 1
N N21 1 4.77055334 4.76815519 0.37276198 1
N N22 1 3.60874765 5.33543520 6.66352900 1
N N23 1 7.56379315 5.33543520 6.21564200 1
S S24 1 0.12246783 11.06968591 3.50852200 1
S S25 1 4.07751333 11.06968591 0.78453500 1
S S26 1 0.12246783 11.95344059 7.80157900 1
S S27 1 4.07751333 11.95344059 5.07759200 1
S S28 1 3.83257767 3.39531041 3.50852200 1
S S29 1 7.78762317 3.39531041 0.78453500 1
S S30 1 3.83257767 4.27906509 7.80157900 1
S S31 1 7.78762317 4.27906509 5.07759200 1
Se Se32 1 3.53069767 8.37002587 1.76275200 1
Se Se33 1 7.48574317 8.37002587 2.53030500 1
Se Se34 1 2.49237768 8.88465583 8.24665198 1
Se Se35 1 6.44742318 8.88465583 4.63251902 1
Se Se36 1 2.49237768 14.13847067 3.95359498 1
Se Se37 1 6.44742318 14.13847067 0.33946202 1
Se Se38 1 3.53069767 14.65310063 6.05580900 1
Se Se39 1 7.48574317 14.65310063 6.82336200 1
Se Se40 1 0.42434783 0.69565037 1.76275200 1
Se Se41 1 4.37939333 0.69565037 2.53030500 1
Se Se42 1 1.46266782 1.21028033 8.24665198 1
Se Se43 1 5.41771332 1.21028033 4.63251902 1
Se Se44 1 1.46266782 6.46409517 3.95359498 1
Se Se45 1 5.41771332 6.46409517 0.33946202 1
Se Se46 1 0.42434783 6.97872513 6.05580900 1
Se Se47 1 4.37939333 6.97872513 6.82336200 1
[/CIF]
| Cl8N16S8Se16 | Pbca | 61 | orthorhombic | mmm | 3,229.851894 | true |
[CIF]
data_V2AsPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.88473413
_cell_length_b 2.88473413
_cell_length_c 6.81082512
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V2AsPt
_chemical_formula_sum 'V2 As1 Pt1'
_cell_volume 56.67758211
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 0.00000000 0.00000000 0.00000000 1
Pt Pt1 1 0.00000000 0.00000000 3.40541256 1
V V2 1 1.44236707 1.44236707 5.27362727 1
V V3 1 1.44236707 1.44236707 1.53719785 1
[/CIF]
| AsPtV2 | P4/mmm | 123 | tetragonal | 4/mmm | 10,895.587386 | false |
[CIF]
data_HfCo2As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93324438
_cell_length_b 3.93324438
_cell_length_c 3.58997294
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfCo2As
_chemical_formula_sum 'Hf1 Co2 As1'
_cell_volume 55.53835813
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 0.00000000 0.00000000 0.00000000 1
Co Co1 1 0.00000000 1.96662219 1.79498647 1
Co Co2 1 1.96662219 0.00000000 1.79498647 1
Hf Hf3 1 1.96662219 1.96662219 0.00000000 1
[/CIF]
| AsCo2Hf | P4/mmm | 123 | tetragonal | 4/mmm | 11,100.831265 | false |
[CIF]
data_NbCr2Fe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.01207590
_cell_length_b 3.01207590
_cell_length_c 5.82692735
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbCr2Fe
_chemical_formula_sum 'Nb1 Cr2 Fe1'
_cell_volume 52.86538823
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr Cr0 1 1.50603795 1.50603795 4.46327753 1
Cr Cr1 1 1.50603795 1.50603795 1.36364982 1
Fe Fe2 1 0.00000000 0.00000000 0.00000000 1
Nb Nb3 1 0.00000000 0.00000000 2.91346368 1
[/CIF]
| Cr2FeNb | P4/mmm | 123 | tetragonal | 4/mmm | 7,938.853804 | false |
[CIF]
data_U2GeO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.41899789
_cell_length_b 10.71009818
_cell_length_c 7.13904869
_cell_angle_alpha 76.66167324
_cell_angle_beta 65.86978005
_cell_angle_gamma 37.46854671
_symmetry_Int_Tables_number 1
_chemical_formula_structural U2GeO10
_chemical_formula_sum 'U4 Ge2 O20'
_cell_volume 477.75221232
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
U U0 1 2.09996150 2.88646250 1.59381835 1
U U1 1 2.09996150 2.88646250 8.25843265 1
U U2 1 4.19992300 5.77292500 3.33230715 1
U U3 1 4.19992300 5.77292500 16.37219485 1
Ge Ge4 1 2.09996150 2.88646250 4.92612550 1
Ge Ge5 1 0.00000000 0.00000000 0.00000000 1
O O6 1 6.29988450 8.65938750 19.02014494 1
O O7 1 6.29988450 8.65938750 10.53660806 1
O O8 1 4.19992300 5.77292500 5.61048256 1
O O9 1 4.19992300 5.77292500 14.09401944 1
O O10 1 4.77245650 3.85202462 11.44554718 1
O O11 1 3.62738950 3.85202462 8.25895482 1
O O12 1 5.72735100 10.58028788 13.18508032 1
O O13 1 6.87241800 10.58028788 16.37167268 1
O O14 1 4.77245650 7.69382538 8.25895482 1
O O15 1 3.62738950 7.69382538 11.44554718 1
O O16 1 5.72735100 6.73848712 16.37167268 1
O O17 1 6.87241800 6.73848712 13.18508032 1
O O18 1 3.30922433 4.78085938 1.15971832 1
O O19 1 0.89069867 4.78085938 8.69253268 1
O O20 1 2.99066017 3.87852812 3.76640718 1
O O21 1 1.20926283 3.87852812 6.08584382 1
O O22 1 3.30922433 0.99206562 8.69253268 1
O O23 1 0.89069867 0.99206562 1.15971832 1
O O24 1 2.99066017 1.89439688 6.08584382 1
O O25 1 1.20926283 1.89439688 3.76640718 1
[/CIF]
| Ge2O20U4 | Fddd | 70 | orthorhombic | mmm | 4,926.446903 | false |
[CIF]
data_Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76634643
_cell_length_b 4.76634643
_cell_length_c 4.76634643
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg
_chemical_formula_sum Mg2
_cell_volume 76.56703252
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg Mg0 1 1.68515794 1.68515794 1.68515794 1
Mg Mg1 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Mg2 | Fd-3m | 227 | cubic | m-3m | 1,054.22401 | false |
[CIF]
data_Mg2InPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.17471607
_cell_length_b 3.17471607
_cell_length_c 7.69989269
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg2InPd
_chemical_formula_sum 'Mg2 In1 Pd1'
_cell_volume 77.60584880
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 0.00000000 0.00000000 3.84994635 1
Mg Mg1 1 1.58735804 1.58735804 6.10144386 1
Mg Mg2 1 1.58735804 1.58735804 1.59844883 1
Pd Pd3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| InMg2Pd | P4/mmm | 123 | tetragonal | 4/mmm | 5,773.961022 | false |
[CIF]
data_LaCoTcRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58794298
_cell_length_b 4.58794298
_cell_length_c 4.58794298
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaCoTcRu
_chemical_formula_sum 'La1 Co1 Tc1 Ru1'
_cell_volume 68.28715766
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 0.00000000 0.00000000 0.00000000 1
La La1 1 3.24416559 3.24416559 3.24416559 1
Ru Ru2 1 1.62208279 1.62208280 1.62208280 1
Tc Tc3 1 4.86624839 4.86624839 4.86624839 1
[/CIF]
| CoLaRuTc | F-43m | 216 | cubic | -43m | 9,673.665551 | false |
[CIF]
data_ZrScMoPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67747112
_cell_length_b 4.67747112
_cell_length_c 4.67747112
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrScMoPt
_chemical_formula_sum 'Zr1 Sc1 Mo1 Pt1'
_cell_volume 72.36329723
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mo Mo0 1 4.96120733 4.96120733 4.96120733 1
Pt Pt1 1 1.65373578 1.65373578 1.65373577 1
Sc Sc2 1 0.00000000 0.00000000 0.00000000 1
Zr Zr3 1 3.30747155 3.30747155 3.30747155 1
[/CIF]
| MoPtScZr | F-43m | 216 | cubic | -43m | 9,803.616243 | false |
[CIF]
data_CdBiB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72091937
_cell_length_b 4.72091937
_cell_length_c 4.72091937
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdBiB2
_chemical_formula_sum 'Cd1 Bi1 B2'
_cell_volume 74.39859796
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 1.66909705 1.66909705 1.66909705 1
B B1 1 0.00000000 0.00000000 0.00000000 1
Bi Bi2 1 5.00729115 5.00729115 5.00729115 1
Cd Cd3 1 3.33819410 3.33819410 3.33819410 1
[/CIF]
| B2BiCd | F-43m | 216 | cubic | -43m | 7,655.88555 | false |
[CIF]
data_Cd2WSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75973671
_cell_length_b 5.75973671
_cell_length_c 5.75973671
_cell_angle_alpha 140.59335734
_cell_angle_beta 140.59335734
_cell_angle_gamma 56.95346871
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd2WSe
_chemical_formula_sum 'Cd2 W1 Se1'
_cell_volume 76.36739778
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 0.00000000 1.94189427 2.53143537 1
Cd Cd1 1 1.94189427 0.00000000 2.53143538 1
Se Se2 1 0.00000000 0.00000000 0.00000000 1
W W3 1 0.00000000 0.00000000 5.06287075 1
[/CIF]
| Cd2SeW | I4/mmm | 139 | tetragonal | 4/mmm | 10,602.893437 | false |
[CIF]
data_NbCu2Tc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.66010004
_cell_length_b 3.66010004
_cell_length_c 4.18255987
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbCu2Tc
_chemical_formula_sum 'Nb1 Cu2 Tc1'
_cell_volume 56.03096189
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu Cu0 1 1.83005002 0.00000000 2.09127994 1
Cu Cu1 1 0.00000000 1.83005002 2.09127994 1
Nb Nb2 1 0.00000000 0.00000000 0.00000000 1
Tc Tc3 1 1.83005002 1.83005002 0.00000000 1
[/CIF]
| Cu2NbTc | P4/mmm | 123 | tetragonal | 4/mmm | 9,451.087322 | false |
[CIF]
data_BaInNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87439079
_cell_length_b 4.87439079
_cell_length_c 4.87439079
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaInNi3
_chemical_formula_sum 'Ba1 In1 Ni3'
_cell_volume 115.81399253
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni Ni0 1 0.00000000 2.43719540 0.00000000 1
Ni Ni1 1 0.00000000 0.00000000 2.43719540 1
Ni Ni2 1 2.43719540 0.00000000 0.00000000 1
Ba Ba3 1 2.43719540 2.43719540 2.43719540 1
In In4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BaInNi3 | Pm-3m | 221 | cubic | m-3m | 6,139.885677 | false |
[CIF]
data_Mn2SiSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06783596
_cell_length_b 3.06783596
_cell_length_c 6.61490004
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 93.78701429
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn2SiSb
_chemical_formula_sum 'Mn2 Si1 Sb1'
_cell_volume 62.12096842
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn Mn0 1 2.09642568 0.00000000 0.00526447 1
Mn Mn1 1 0.00000000 0.00000000 5.21620377 1
Sb Sb2 1 2.09642568 0.00000000 3.69743734 1
Si Si3 1 0.00000000 0.00000000 1.00344448 1
[/CIF]
| Mn2SbSi | Cmm2 | 35 | orthorhombic | mm2 | 6,942.548669 | false |
[CIF]
data_Ti2MnBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18050096
_cell_length_b 4.26726722
_cell_length_c 5.50778366
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.52063038
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2MnBi
_chemical_formula_sum 'Ti2 Mn1 Bi1'
_cell_volume 72.97415258
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 0.56276941 2.13363361 2.66221488 1
Mn Mn1 1 0.14252095 0.00000000 4.45664032 1
Ti Ti2 1 -0.97467725 2.13363361 5.15662823 1
Ti Ti3 1 2.05504170 0.00000000 1.16651054 1
[/CIF]
| BiMnTi2 | Pm | 6 | monoclinic | m | 8,183.951635 | false |
[CIF]
data_MnSi2As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.82592312
_cell_length_b 2.82592312
_cell_length_c 7.02729003
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnSi2As
_chemical_formula_sum 'Mn1 Si2 As1'
_cell_volume 56.11882421
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 0.00000000 0.00000000 3.51364502 1
Mn Mn1 1 0.00000000 0.00000000 0.00000000 1
Si Si2 1 1.41296156 1.41296156 1.34615731 1
Si Si3 1 1.41296156 1.41296156 5.68113272 1
[/CIF]
| AsMnSi2 | P4/mmm | 123 | tetragonal | 4/mmm | 5,504.590624 | false |
[CIF]
data_Co6Pd7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.08519926
_cell_length_b 9.08519926
_cell_length_c 9.08519926
_cell_angle_alpha 32.63165754
_cell_angle_beta 32.63165754
_cell_angle_gamma 32.63165754
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co6Pd7
_chemical_formula_sum 'Co6 Pd7'
_cell_volume 193.93295576
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 0.00000000 0.00000000 11.78441314 1
Co Co1 1 -0.00000000 -0.00000000 13.99727503 1
Co Co2 1 0.00000000 0.00000000 8.94105517 1
Co Co3 1 0.00000000 0.00000000 16.84063301 1
Co Co4 1 0.00000000 0.00000000 4.27975534 1
Co Co5 1 0.00000000 0.00000000 21.50193284 1
Pd Pd6 1 -1.26591001 -0.73087349 19.35293030 1
Pd Pd7 1 -0.00000000 1.46174697 19.35293030 1
Pd Pd8 1 1.26591001 -0.73087349 19.35293030 1
Pd Pd9 1 1.26591001 0.73087349 6.42875788 1
Pd Pd10 1 -1.26591001 0.73087349 6.42875788 1
Pd Pd11 1 0.00000000 -1.46174697 6.42875788 1
Pd Pd12 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Co6Pd7 | R-3m | 166 | trigonal | -3m | 9,406.174424 | false |
[CIF]
data_HfAs2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57226615
_cell_length_b 4.57226615
_cell_length_c 4.57226615
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfAs2Ir
_chemical_formula_sum 'Hf1 As2 Ir1'
_cell_volume 67.58954298
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 4.84962060 4.84962060 4.84962060 1
As As1 1 1.61654020 1.61654020 1.61654020 1
Hf Hf2 1 0.00000000 0.00000000 0.00000000 1
Ir Ir3 1 3.23308040 3.23308040 3.23308040 1
[/CIF]
| As2HfIr | Fm-3m | 225 | cubic | m-3m | 12,788.870957 | false |
[CIF]
data_CaSm2Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18217800
_cell_length_b 5.18217800
_cell_length_c 5.18217800
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaSm2Co
_chemical_formula_sum 'Ca1 Sm2 Co1'
_cell_volume 98.40609099
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 -0.00000000 0.00000000 0.00000000 1
Co Co1 1 3.66435320 3.66435320 3.66435320 1
Sm Sm2 1 5.49652981 5.49652981 5.49652981 1
Sm Sm3 1 1.83217660 1.83217660 1.83217660 1
[/CIF]
| CaCoSm2 | Fm-3m | 225 | cubic | m-3m | 6,745.205086 | false |
[CIF]
data_TiMnFeHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43474843
_cell_length_b 4.43474843
_cell_length_c 4.43474843
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiMnFeHg
_chemical_formula_sum 'Ti1 Mn1 Fe1 Hg1'
_cell_volume 61.67255899
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 3.13584069 3.13584069 3.13584069 1
Hg Hg1 1 4.70376103 4.70376103 4.70376103 1
Mn Mn2 1 1.56792034 1.56792034 1.56792035 1
Ti Ti3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| FeHgMnTi | F-43m | 216 | cubic | -43m | 9,672.569759 | false |
[CIF]
data_Na2HfV
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44423766
_cell_length_b 6.44423766
_cell_length_c 6.44423766
_cell_angle_alpha 154.42420793
_cell_angle_beta 123.93841555
_cell_angle_gamma 62.59246784
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2HfV
_chemical_formula_sum 'Na2 Hf1 V1'
_cell_volume 95.14717383
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 -0.00000000 3.02844380 2.37984081 1
Na Na1 1 -0.00000000 0.00000000 0.01346067 1
Na Na2 1 1.42638360 -0.00000000 2.89166944 1
V V3 1 -0.00000000 -0.00000000 5.72814073 1
[/CIF]
| HfNa2V | Imm2 | 44 | orthorhombic | mm2 | 4,806.561987 | false |
[CIF]
data_VSnGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68062462
_cell_length_b 4.68062462
_cell_length_c 4.68062462
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VSnGe
_chemical_formula_sum 'V1 Sn1 Ge1'
_cell_volume 72.50975548
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ge Ge0 1 3.30970141 3.30970141 3.30970141 1
Sn Sn1 1 4.96455212 4.96455212 4.96455212 1
V V2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| GeSnV | F-43m | 216 | cubic | -43m | 5,548.694773 | false |
[CIF]
data_Ag2SbPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38435385
_cell_length_b 5.38435385
_cell_length_c 5.38435385
_cell_angle_alpha 135.99429008
_cell_angle_beta 135.99429008
_cell_angle_gamma 63.98916297
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ag2SbPt
_chemical_formula_sum 'Ag2 Sb1 Pt1'
_cell_volume 74.33012552
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 2.01726321 -0.00000000 2.28323043 1
Ag Ag1 1 0.00000000 2.01726321 2.28323042 1
Pt Pt2 1 0.00000000 -0.00000000 4.56646085 1
Sb Sb3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Ag2PtSb | I4/mmm | 139 | tetragonal | 4/mmm | 11,897.875244 | false |
[CIF]
data_KTaPd4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35606726
_cell_length_b 5.35606726
_cell_length_c 5.35606726
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KTaPd4
_chemical_formula_sum 'K1 Ta1 Pd4'
_cell_volume 108.64833331
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K K0 1 0.00000000 0.00000000 0.00000000 1
Pd Pd1 1 4.72953585 4.72953585 2.84508711 1
Pd Pd2 1 4.72953585 2.84508711 4.72953585 1
Pd Pd3 1 2.84508711 4.72953585 4.72953585 1
Pd Pd4 1 2.84508711 2.84508711 2.84508711 1
Ta Ta5 1 5.68096722 5.68096722 5.68096722 1
[/CIF]
| KPd4Ta | F-43m | 216 | cubic | -43m | 9,869.028963 | false |
[CIF]
data_TiVHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.81346063
_cell_length_b 6.81346063
_cell_length_c 6.81346063
_cell_angle_alpha 156.18771779
_cell_angle_beta 156.18771779
_cell_angle_gamma 33.92731619
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiVHg
_chemical_formula_sum 'Ti1 V1 Hg1'
_cell_volume 51.50866531
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 0.00000000 -0.00000000 0.03955680 1
Ti Ti1 1 -0.00000000 0.00000000 4.21111737 1
V V2 1 -0.00000000 0.00000000 8.78333989 1
[/CIF]
| HgTiV | I4mm | 107 | tetragonal | 4mm | 9,652.02462 | false |
[CIF]
data_Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.76249026
_cell_length_b 2.76249026
_cell_length_c 4.89542956
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mo
_chemical_formula_sum Mo2
_cell_volume 32.35362505
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mo Mo0 1 -0.00000000 1.59492449 1.22385739 1
Mo Mo1 1 1.38124513 0.79746225 3.67157217 1
[/CIF]
| Mo2 | P6_3/mmc | 194 | hexagonal | 6/mmm | 9,850.230298 | false |