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_CrTe2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.22501381
_cell_length_b 3.37097964
_cell_length_c 7.83479044
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.76014144
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrTe2Au
_chemical_formula_sum 'Cr1 Te2 Au1'
_cell_volume 83.38769339
_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 -0.79842407 0.00000000 3.83516679 1
Cr Cr1 1 0.00000000 0.00000000 0.00000000 1
Te Te2 1 1.65862904 1.68548982 1.57427384 1
Te Te3 1 -0.03046335 1.68548982 6.09605975 1
[/CIF]
| AuCrTe2 | P2/m | 10 | monoclinic | 2/m | 10,039.632634 | false |
[CIF]
data_Te
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.41606389
_cell_length_b 3.41606389
_cell_length_c 3.41606389
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Te
_chemical_formula_sum Te1
_cell_volume 28.18791513
_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
Te Te0 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Te | Fm-3m | 225 | cubic | m-3m | 7,516.866144 | false |
[CIF]
data_Tl2AgAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27957832
_cell_length_b 5.27957832
_cell_length_c 3.51997809
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tl2AgAs
_chemical_formula_sum 'Tl2 Ag1 As1'
_cell_volume 98.11568356
_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 2.63978916 2.63978916 0.00000000 1
As As1 1 0.00000000 0.00000000 0.00000000 1
Tl Tl2 1 0.00000000 2.63978916 1.75998904 1
Tl Tl3 1 2.63978916 0.00000000 1.75998904 1
[/CIF]
| AgAsTl2 | P4/mmm | 123 | tetragonal | 4/mmm | 10,011.676795 | false |
[CIF]
data_CrBiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45252873
_cell_length_b 4.45252873
_cell_length_c 4.45252873
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrBiPt
_chemical_formula_sum 'Cr1 Bi1 Pt1'
_cell_volume 62.41733101
_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 4.72261989 4.72261989 4.72261989 1
Cr Cr1 1 0.00000000 0.00000000 0.00000000 1
Pt Pt2 1 1.57420663 1.57420663 1.57420663 1
[/CIF]
| BiCrPt | F-43m | 216 | cubic | -43m | 12,132.948729 | false |
[CIF]
data_KTh2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.46681919
_cell_length_b 7.46681919
_cell_length_c 7.46681919
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KTh2O4
_chemical_formula_sum 'K2 Th4 O8'
_cell_volume 294.36888843
_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
K K0 1 0.00000000 0.00000000 0.00000000 1
K K1 1 2.63991924 2.63991924 2.63991924 1
O O2 1 4.21859380 4.21859380 4.21859380 1
O O3 1 4.21859380 6.34108317 6.34108317 1
O O4 1 6.34108317 4.21859380 6.34108317 1
O O5 1 6.85851305 6.85851305 8.98100241 1
O O6 1 6.34108317 6.34108317 4.21859380 1
O O7 1 6.85851305 8.98100241 6.85851305 1
O O8 1 8.98100241 8.98100241 8.98100241 1
O O9 1 8.98100241 6.85851305 6.85851305 1
Th Th10 1 3.95987886 3.95987886 6.59979811 1
Th Th11 1 3.95987886 6.59979811 3.95987886 1
Th Th12 1 6.59979811 3.95987886 3.95987886 1
Th Th13 1 6.59979811 6.59979811 6.59979811 1
[/CIF]
| K2O8Th4 | Fd-3m | 227 | cubic | m-3m | 6,398.851034 | false |
[CIF]
data_TlGa2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.04111289
_cell_length_b 3.04111289
_cell_length_c 8.13507543
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlGa2Ni
_chemical_formula_sum 'Tl1 Ga2 Ni1'
_cell_volume 75.23616811
_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 0.00000000 0.37830468 1
Ga Ga1 1 1.52055644 1.52055644 2.43896151 1
Ni Ni2 1 0.00000000 0.00000000 3.64331289 1
Tl Tl3 1 1.52055644 1.52055644 5.74203406 1
[/CIF]
| Ga2NiTl | P4mm | 99 | tetragonal | 4mm | 8,884.087073 | false |
[CIF]
data_ScFe2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27720958
_cell_length_b 5.27720958
_cell_length_c 4.49470095
_cell_angle_alpha 114.34670905
_cell_angle_beta 114.34670905
_cell_angle_gamma 37.74124579
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScFe2Pb
_chemical_formula_sum 'Sc1 Fe2 Pb1'
_cell_volume 68.96397306
_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 0.29115929 0.00000000 0.12525869 1
Fe Fe1 1 6.79050246 -0.00000000 0.92661334 1
Pb Pb2 1 3.86923907 0.00000000 1.93463115 1
Sc Sc3 1 1.09246130 0.00000000 3.08204742 1
[/CIF]
| Fe2PbSc | Cm | 8 | monoclinic | m | 8,760.811251 | false |
[CIF]
data_As4SeCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81163507
_cell_length_b 5.81163507
_cell_length_c 5.81163507
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural As4SeCl
_chemical_formula_sum 'As4 Se1 Cl1'
_cell_volume 138.79697798
_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 2.94437110 2.94437110 5.27452204 1
As As1 1 2.94437110 5.27452204 2.94437110 1
As As2 1 5.27452204 2.94437110 2.94437110 1
As As3 1 5.27452204 5.27452204 5.27452204 1
Cl Cl4 1 0.00000000 0.00000000 0.00000000 1
Se Se5 1 2.05472329 2.05472329 2.05472329 1
[/CIF]
| As4ClSe | F-43m | 216 | cubic | -43m | 4,954.20175 | false |
[CIF]
data_CrBi2As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31857280
_cell_length_b 3.31857280
_cell_length_c 8.25162883
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrBi2As
_chemical_formula_sum 'Cr1 Bi2 As1'
_cell_volume 90.87457297
_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 1.65928640 1.65928640 5.60617008 1
Bi Bi1 1 0.00000000 0.00000000 7.73459142 1
Bi Bi2 1 1.65928640 1.65928640 2.65033646 1
Cr Cr3 1 0.00000000 0.00000000 4.63797420 1
[/CIF]
| AsBi2Cr | P4mm | 99 | tetragonal | 4mm | 9,956.492847 | false |
[CIF]
data_YCdAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55101646
_cell_length_b 3.55101646
_cell_length_c 6.88330696
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YCdAu2
_chemical_formula_sum 'Y1 Cd1 Au2'
_cell_volume 86.79655872
_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 1.77550823 1.77550823 1.73975618 1
Au Au1 1 1.77550823 1.77550823 5.14355078 1
Cd Cd2 1 0.00000000 0.00000000 3.44165348 1
Y Y3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Au2CdY | P4/mmm | 123 | tetragonal | 4/mmm | 11,388.455583 | false |
[CIF]
data_H4OF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59314825
_cell_length_b 6.10518900
_cell_length_c 11.31080523
_cell_angle_alpha 90.00000000
_cell_angle_beta 97.22899650
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H4OF2
_chemical_formula_sum 'H16 O4 F8'
_cell_volume 246.15113119
_cell_formula_units_Z 4
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
H H0 1 2.00801061 0.64599615 7.85582873 1
H H1 1 -0.54981041 3.69859065 8.97551719 1
H H2 1 0.16183894 5.45919285 3.36506855 1
H H3 1 2.71965996 2.40659835 2.24538009 1
H H4 1 -0.58658515 1.91593652 7.34931743 1
H H5 1 2.04478536 4.96853102 9.48202849 1
H H6 1 2.75643471 4.18925248 3.87157985 1
H H7 1 0.12506419 1.13665798 1.73886879 1
H H8 1 1.96940482 1.19090869 6.24582073 1
H H9 1 -0.51120462 4.24350319 10.58552519 1
H H10 1 0.20044473 4.91428031 4.97507655 1
H H11 1 2.68105417 1.86168581 0.63537209 1
H H12 1 1.56377600 2.16281204 4.33416134 1
H H13 1 1.31772290 5.21540654 1.27628730 1
H H14 1 0.60607355 3.94237696 6.88673594 1
H H15 1 0.85212666 0.88978246 9.94460998 1
O O16 1 2.54763135 1.03490280 7.06879499 1
O O17 1 -1.08943114 4.08749730 9.76255092 1
O O18 1 -0.37778180 5.07028620 4.15210228 1
O O19 1 3.25928070 2.01769170 1.45834636 1
F F20 1 1.37277192 0.08043587 9.04605175 1
F F21 1 0.08542829 3.13303037 7.78529417 1
F F22 1 0.79707764 6.02475313 2.17484553 1
F F23 1 2.08442127 2.97215863 3.43560311 1
F F24 1 0.41087883 1.51361067 10.64360455 1
F F25 1 1.04732138 4.56620517 6.18774136 1
F F26 1 1.75897073 4.59157833 0.57729272 1
F F27 1 1.12252818 1.53898383 5.03315592 1
[/CIF]
| F8H16O4 | P2_1/c | 14 | monoclinic | 2/m | 1,565.829979 | false |
[CIF]
data_Na2ZrSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21179044
_cell_length_b 5.21179044
_cell_length_c 5.21179044
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2ZrSb
_chemical_formula_sum 'Na2 Zr1 Sb1'
_cell_volume 100.10271027
_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
Na Na0 1 5.52793854 5.52793854 5.52793854 1
Na Na1 1 1.84264618 1.84264618 1.84264618 1
Sb Sb2 1 3.68529236 3.68529236 3.68529236 1
Zr Zr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Na2SbZr | Fm-3m | 225 | cubic | m-3m | 4,295.77852 | false |
[CIF]
data_KSrCa2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01648579
_cell_length_b 4.01648579
_cell_length_c 12.52823544
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KSrCa2
_chemical_formula_sum 'K1 Sr1 Ca2'
_cell_volume 202.10747485
_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 2.00824289 2.00824289 9.19760154 1
Ca Ca1 1 2.00824289 2.00824289 3.33063390 1
K K2 1 0.00000000 0.00000000 0.00000000 1
Sr Sr3 1 0.00000000 0.00000000 6.26411772 1
[/CIF]
| Ca2KSr | P4/mmm | 123 | tetragonal | 4/mmm | 1,699.703869 | false |
[CIF]
data_Be2Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.11653673
_cell_length_b 6.56391612
_cell_length_c 8.60916990
_cell_angle_alpha 53.92077253
_cell_angle_beta 48.19724935
_cell_angle_gamma 77.88197812
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be2Se3
_chemical_formula_sum 'Be4 Se6'
_cell_volume 230.88757123
_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
Be Be0 1 7.59744478 5.83974173 2.96028118 1
Be Be1 1 3.94012048 6.94133073 2.96028118 1
Be Be2 1 6.82451179 9.03500984 4.52601917 1
Be Be3 1 10.48183610 10.13659885 4.52601917 1
Se Se4 1 6.45427259 3.92796278 3.11933264 1
Se Se5 1 5.08329267 8.85310968 3.11933264 1
Se Se6 1 7.96768398 7.12323089 4.68507062 1
Se Se7 1 3.56988128 5.65784157 4.68507062 1
Se Se8 1 8.65317395 9.58580435 3.49815267 1
Se Se9 1 5.76878263 6.39053623 1.93241469 1
[/CIF]
| Be4Se6 | Fdd2 | 43 | orthorhombic | mm2 | 3,666.534776 | false |
[CIF]
data_ScReW2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53059519
_cell_length_b 4.53059519
_cell_length_c 4.53059519
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScReW2
_chemical_formula_sum 'Sc1 Re1 W2'
_cell_volume 65.75833074
_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
Re Re0 1 1.60180729 1.60180729 1.60180729 1
Sc Sc1 1 0.00000000 0.00000000 0.00000000 1
W W2 1 4.80542187 4.80542187 4.80542187 1
W W3 1 3.20361458 3.20361458 3.20361458 1
[/CIF]
| ReScW2 | F-43m | 216 | cubic | -43m | 15,122.069537 | false |
[CIF]
data_Mn3V
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48239683
_cell_length_b 2.48239683
_cell_length_c 7.92677071
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 109.67679524
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn3V
_chemical_formula_sum 'Mn3 V1'
_cell_volume 45.99476317
_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 1.42957402 0.00000000 2.02250984 1
Mn Mn1 1 1.42957402 0.00000000 5.90426087 1
Mn Mn2 1 0.00000000 0.00000000 3.96338535 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Mn3V | Cmmm | 65 | orthorhombic | mmm | 7,789.3794 | false |
[CIF]
data_InPb2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.18355500
_cell_length_b 9.18355500
_cell_length_c 9.18355500
_cell_angle_alpha 24.87700520
_cell_angle_beta 24.87700520
_cell_angle_gamma 24.87700520
_symmetry_Int_Tables_number 1
_chemical_formula_structural InPb2Se
_chemical_formula_sum 'In1 Pb2 Se1'
_cell_volume 120.56324186
_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 13.34247407 1
Pb Pb1 1 0.00000000 0.00000000 6.90377901 1
Pb Pb2 1 0.00000000 -0.00000000 19.78116913 1
Se Se3 1 -0.00000000 -0.00000000 -0.00000000 1
[/CIF]
| InPb2Se | R-3m | 166 | trigonal | -3m | 8,376.544229 | false |
[CIF]
data_BeCr2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.62071899
_cell_length_b 2.62071899
_cell_length_c 6.68018007
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeCr2Rh
_chemical_formula_sum 'Be1 Cr2 Rh1'
_cell_volume 45.88059915
_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 4.95652854 1
Cr Cr1 1 1.31035949 1.31035949 6.50618022 1
Cr Cr2 1 0.00000000 0.00000000 1.73631468 1
Rh Rh3 1 1.31035949 1.31035949 3.50142674 1
[/CIF]
| BeCr2Rh | P4mm | 99 | tetragonal | 4mm | 7,814.344201 | false |
[CIF]
data_K2SrTi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31280276
_cell_length_b 5.31280276
_cell_length_c 6.72546487
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2SrTi
_chemical_formula_sum 'K2 Sr1 Ti1'
_cell_volume 189.83211841
_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 2.65640138 3.36273243 1
K K1 1 2.65640138 0.00000000 3.36273243 1
Sr Sr2 1 2.65640138 2.65640138 0.00000000 1
Ti Ti3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| K2SrTi | P4/mmm | 123 | tetragonal | 4/mmm | 1,869.177717 | false |
[CIF]
data_BaNbPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99206913
_cell_length_b 5.99206913
_cell_length_c 3.35403069
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 108.74776901
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaNbPb2
_chemical_formula_sum 'Ba1 Nb1 Pb2'
_cell_volume 114.03662014
_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 3.49034145 -0.00000000 0.00000000 1
Nb Nb1 1 0.00000000 0.00000000 0.00000000 1
Pb Pb2 1 1.74517073 2.43528278 1.67701535 1
Pb Pb3 1 1.74517073 -2.43528279 1.67701535 1
[/CIF]
| BaNbPb2 | Cmmm | 65 | orthorhombic | mmm | 9,386.799695 | false |
[CIF]
data_Hf2TeW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95974138
_cell_length_b 4.95974138
_cell_length_c 3.39450028
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 105.81991486
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2TeW
_chemical_formula_sum 'Hf2 Te1 W1'
_cell_volume 80.33867065
_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 1.49553405 -1.97816495 1.69725014 1
Hf Hf1 1 1.49553404 1.97816495 1.69725014 1
Te Te2 1 0.00000000 0.00000000 0.00000000 1
W W3 1 2.99106809 0.00000000 0.00000000 1
[/CIF]
| Hf2TeW | Cmmm | 65 | orthorhombic | mmm | 13,815.731751 | false |
[CIF]
data_HfTiWAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64032101
_cell_length_b 4.64032101
_cell_length_c 4.64032101
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfTiWAu
_chemical_formula_sum 'Hf1 Ti1 W1 Au1'
_cell_volume 70.65275109
_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 1.64060122 1.64060122 1.64060123 1
Hf Hf1 1 4.92180367 4.92180367 4.92180368 1
Ti Ti2 1 -0.00000000 -0.00000000 0.00000000 1
W W3 1 3.28120245 3.28120245 3.28120245 1
[/CIF]
| AuHfTiW | F-43m | 216 | cubic | -43m | 14,270.057579 | false |
[CIF]
data_MgZrNbFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59088590
_cell_length_b 4.59088590
_cell_length_c 4.59088590
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgZrNbFe
_chemical_formula_sum 'Mg1 Zr1 Nb1 Fe1'
_cell_volume 68.41864972
_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 1.62312328 1.62312328 1.62312328 1
Mg Mg1 1 0.00000000 0.00000000 0.00000000 1
Nb Nb2 1 3.24624655 3.24624655 3.24624655 1
Zr Zr3 1 4.86936983 4.86936983 4.86936983 1
[/CIF]
| FeMgNbZr | F-43m | 216 | cubic | -43m | 6,414.156042 | false |
[CIF]
data_Cu2GeB
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39398644
_cell_length_b 3.55714628
_cell_length_c 4.38348173
_cell_angle_alpha 90.00000000
_cell_angle_beta 103.60129118
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu2GeB
_chemical_formula_sum 'Cu2 Ge1 B1'
_cell_volume 51.43722144
_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 0.99336152 0.00000000 3.20330091 1
Cu Cu1 1 1.85165369 1.77857314 4.20984926 1
Cu Cu2 1 1.24460922 0.00000000 0.89063893 1
Ge Ge3 1 0.12125552 1.77857314 2.34758605 1
[/CIF]
| BCu2Ge | Pm | 6 | monoclinic | m | 6,796.923841 | false |
[CIF]
data_ZrReSnMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66730666
_cell_length_b 4.66730666
_cell_length_c 4.66730666
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrReSnMo
_chemical_formula_sum 'Zr1 Re1 Sn1 Mo1'
_cell_volume 71.89257051
_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 4.95042628 4.95042628 4.95042628 1
Re Re1 1 3.30028419 3.30028419 3.30028419 1
Sn Sn2 1 1.65014209 1.65014209 1.65014209 1
Zr Zr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| MoReSnZr | F-43m | 216 | cubic | -43m | 11,366.305717 | false |
[CIF]
data_HfNbVMoWC5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.86327805
_cell_length_b 12.86327805
_cell_length_c 12.86327805
_cell_angle_alpha 13.94119399
_cell_angle_beta 13.94119399
_cell_angle_gamma 13.94119399
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfNbVMoWC5
_chemical_formula_sum 'Hf1 Nb1 V1 Mo1 W1 C5'
_cell_volume 107.52014719
_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 -0.00000000 0.00000000 38.03651591 1
C C1 1 0.00000000 0.00000000 15.32439571 1
C C2 1 -0.00000000 -0.00000000 30.59318159 1
C C3 1 -0.00000000 0.00000000 7.73744045 1
C C4 1 0.00000000 -0.00000000 22.95880852 1
Hf Hf5 1 -0.00000000 0.00000000 26.66804933 1
Mo Mo6 1 0.00000000 0.00000000 3.84016068 1
Nb Nb7 1 -0.00000000 -0.00000000 19.14159887 1
V V8 1 0.00000000 0.00000000 11.39344345 1
W W9 1 -0.00000000 -0.00000000 34.45617256 1
[/CIF]
| C5HfMoNbVW | R3m | 160 | trigonal | 3m | 10,226.870818 | false |
[CIF]
data_CuNi4Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80353527
_cell_length_b 4.80353527
_cell_length_c 4.80353527
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CuNi4Br
_chemical_formula_sum 'Cu1 Ni4 Br1'
_cell_volume 78.37326732
_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 5.09491854 5.09491854 5.09491854 1
Cu Cu1 1 0.00000000 0.00000000 0.00000000 1
Ni Ni2 1 4.24887482 4.24887482 2.54434990 1
Ni Ni3 1 4.24887482 2.54434990 4.24887482 1
Ni Ni4 1 2.54434990 4.24887482 4.24887482 1
Ni Ni5 1 2.54434990 2.54434990 2.54434990 1
[/CIF]
| BrCuNi4 | F-43m | 216 | cubic | -43m | 8,013.638899 | false |
[CIF]
data_Na2TcRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.02392615
_cell_length_b 3.02392615
_cell_length_c 9.28149342
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2TcRu
_chemical_formula_sum 'Na2 Tc1 Ru1'
_cell_volume 84.87117649
_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
Na Na0 1 1.51196307 1.51196307 8.81852065 1
Na Na1 1 0.00000000 0.00000000 2.82920023 1
Ru Ru2 1 1.51196307 1.51196307 5.12970061 1
Tc Tc3 1 0.00000000 0.00000000 6.42631206 1
[/CIF]
| Na2RuTc | P4mm | 99 | tetragonal | 4mm | 4,812.224001 | false |
[CIF]
data_Mn2ReSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95715568
_cell_length_b 2.95715568
_cell_length_c 7.22374118
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn2ReSb
_chemical_formula_sum 'Mn2 Re1 Sb1'
_cell_volume 63.16995311
_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 1.47857784 1.47857784 0.26973081 1
Mn Mn1 1 0.00000000 0.00000000 1.89345525 1
Re Re2 1 1.47857784 1.47857784 3.24919046 1
Sb Sb3 1 0.00000000 0.00000000 5.42323525 1
[/CIF]
| Mn2ReSb | P4mm | 99 | tetragonal | 4mm | 10,983.77853 | false |
[CIF]
data_ZnPt2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83205582
_cell_length_b 4.83205582
_cell_length_c 2.88663442
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 107.27220208
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnPt2Cl
_chemical_formula_sum 'Zn1 Pt2 Cl1'
_cell_volume 64.35996819
_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
Cl Cl0 1 0.00000000 0.00000000 0.00000000 1
Pt Pt1 1 1.43249102 1.94554885 1.44331721 1
Pt Pt2 1 1.43249102 -1.94554885 1.44331721 1
Zn Zn3 1 2.86498204 -0.00000000 0.00000000 1
[/CIF]
| ClPt2Zn | Cmmm | 65 | orthorhombic | mmm | 12,668.221648 | false |
[CIF]
data_Be2PtBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.04811239
_cell_length_b 3.47539065
_cell_length_c 6.09867337
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be2PtBr
_chemical_formula_sum 'Be2 Pt1 Br1'
_cell_volume 64.60557243
_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 1.73769533 3.04933669 1
Be Be1 1 0.00000000 0.00000000 0.00000000 1
Br Br2 1 1.52405620 0.00000000 3.04933669 1
Pt Pt3 1 1.52405620 1.73769533 0.00000000 1
[/CIF]
| Be2BrPt | Pmmm | 47 | orthorhombic | mmm | 7,531.215328 | false |
[CIF]
data_YTaRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.23727032
_cell_length_b 3.23727032
_cell_length_c 6.81584712
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YTaRu2
_chemical_formula_sum 'Y1 Ta1 Ru2'
_cell_volume 71.42952658
_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
Ru Ru0 1 1.61863516 1.61863516 1.90939462 1
Ru Ru1 1 1.61863516 1.61863516 4.90645250 1
Ta Ta2 1 0.00000000 0.00000000 3.40792356 1
Y Y3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Ru2TaY | P4/mmm | 123 | tetragonal | 4/mmm | 10,972.549663 | false |
[CIF]
data_MoPd2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08952677
_cell_length_b 5.08952677
_cell_length_c 2.91165599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 116.80896372
_symmetry_Int_Tables_number 1
_chemical_formula_structural MoPd2Br
_chemical_formula_sum 'Mo1 Pd2 Br1'
_cell_volume 67.31479437
_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
Mo Mo1 1 2.66650120 0.00000000 0.00000000 1
Pd Pd2 1 1.33325060 -2.16754782 1.45582799 1
Pd Pd3 1 1.33325060 2.16754781 1.45582799 1
[/CIF]
| BrMoPd2 | Cmmm | 65 | orthorhombic | mmm | 9,588.65259 | false |
[CIF]
data_SrMn2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66359832
_cell_length_b 4.66359832
_cell_length_c 4.66359832
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrMn2Ni
_chemical_formula_sum 'Sr1 Mn2 Ni1'
_cell_volume 71.72134329
_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 4.94649300 4.94649300 4.94649300 1
Mn Mn1 1 1.64883100 1.64883100 1.64883100 1
Ni Ni2 1 0.00000000 0.00000000 0.00000000 1
Sr Sr3 1 3.29766200 3.29766200 3.29766200 1
[/CIF]
| Mn2NiSr | Fm-3m | 225 | cubic | m-3m | 5,931.465267 | false |
[CIF]
data_CaTiRePd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64534754
_cell_length_b 4.64534754
_cell_length_c 4.64534754
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaTiRePd
_chemical_formula_sum 'Ca1 Ti1 Re1 Pd1'
_cell_volume 70.88259962
_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
Pd Pd1 1 4.92713513 4.92713513 4.92713513 1
Re Re2 1 3.28475675 3.28475675 3.28475675 1
Ti Ti3 1 1.64237838 1.64237838 1.64237838 1
[/CIF]
| CaPdReTi | F-43m | 216 | cubic | -43m | 8,915.512086 | false |
[CIF]
data_Zn4Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.17232715
_cell_length_b 11.17232715
_cell_length_c 11.17232715
_cell_angle_alpha 14.77543933
_cell_angle_beta 14.77543933
_cell_angle_gamma 14.77543933
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn4Ag
_chemical_formula_sum 'Zn4 Ag1'
_cell_volume 78.98569772
_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 0.00000000 1
Zn Zn1 1 0.00000000 -0.00000000 13.29724538 1
Zn Zn2 1 -0.00000000 -0.00000000 26.51286007 1
Zn Zn3 1 -0.00000000 0.00000000 6.63262502 1
Zn Zn4 1 -0.00000000 -0.00000000 19.84823971 1
[/CIF]
| AgZn4 | R-3m | 166 | trigonal | -3m | 7,765.754491 | false |
[CIF]
data_NaCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24590742
_cell_length_b 5.24590742
_cell_length_c 4.06556825
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaCl
_chemical_formula_sum 'Na2 Cl2'
_cell_volume 111.88258702
_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
Cl Cl0 1 2.62295371 2.62295371 0.00000000 1
Cl Cl1 1 0.00000000 0.00000000 0.00000000 1
Na Na2 1 2.62295371 0.00000000 0.75717481 1
Na Na3 1 0.00000000 2.62295371 3.30839344 1
[/CIF]
| Cl2Na2 | P4/nmm | 129 | tetragonal | 4/mmm | 1,734.791877 | false |
[CIF]
data_Tl3Pd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80795886
_cell_length_b 4.80795886
_cell_length_c 5.75211448
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tl3Pd2
_chemical_formula_sum 'Tl3 Pd2'
_cell_volume 115.15416165
_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 2.40397943 1.38793817 0.78888243 1
Pd Pd1 1 -0.00000000 2.77587634 4.96323205 1
Tl Tl2 1 0.00000000 0.00000000 0.00000000 1
Tl Tl3 1 2.40397943 1.38793817 3.68495956 1
Tl Tl4 1 -0.00000000 2.77587634 2.06715492 1
[/CIF]
| Pd2Tl3 | P-3m1 | 164 | trigonal | -3m | 11,910.889519 | false |
[CIF]
data_HfGeBi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25534290
_cell_length_b 5.25534290
_cell_length_c 5.25534290
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfGeBi2
_chemical_formula_sum 'Hf1 Ge1 Bi2'
_cell_volume 102.63327225
_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 1.85804430 1.85804430 1.85804430 1
Bi Bi1 1 5.57413290 5.57413290 5.57413290 1
Ge Ge2 1 0.00000000 0.00000000 0.00000000 1
Hf Hf3 1 3.71608860 3.71608860 3.71608860 1
[/CIF]
| Bi2GeHf | Fm-3m | 225 | cubic | m-3m | 10,825.45054 | false |
[CIF]
data_Nb2CrB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.96169900
_cell_length_b 5.96169900
_cell_length_c 3.26413000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nb2CrB2
_chemical_formula_sum 'Nb4 Cr2 B4'
_cell_volume 116.01323505
_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
Nb Nb0 1 4.05828948 1.07743998 1.63206500 1
Nb Nb1 1 1.90340952 4.88425902 1.63206500 1
Nb Nb2 1 1.07743998 1.90340952 1.63206500 1
Nb Nb3 1 4.88425902 4.05828948 1.63206500 1
Cr Cr4 1 2.98084950 2.98084950 0.00000000 1
Cr Cr5 1 0.00000000 0.00000000 0.00000000 1
B B6 1 0.65705077 3.63790027 0.00000000 1
B B7 1 5.30464823 2.32379873 0.00000000 1
B B8 1 3.63790027 5.30464823 0.00000000 1
B B9 1 2.32379873 0.65705077 0.00000000 1
[/CIF]
| B4Cr2Nb4 | P4/mbm | 127 | tetragonal | 4/mmm | 7,426.654001 | false |
[CIF]
data_ScBePb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87545932
_cell_length_b 5.87545932
_cell_length_c 5.87545932
_cell_angle_alpha 139.65289684
_cell_angle_beta 136.86083380
_cell_angle_gamma 60.53897609
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScBePb2
_chemical_formula_sum 'Sc1 Be1 Pb2'
_cell_volume 88.83649080
_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 2.57285248 1
Pb Pb1 1 2.02623994 -0.00000000 0.13176197 1
Pb Pb2 1 0.00000000 0.00000000 7.61076492 1
Sc Sc3 1 2.02623994 0.00000000 4.90789059 1
[/CIF]
| BePb2Sc | Imm2 | 44 | orthorhombic | mm2 | 8,754.775325 | false |
[CIF]
data_Fe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45389164
_cell_length_b 2.45389164
_cell_length_c 2.45389164
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe
_chemical_formula_sum Fe1
_cell_volume 11.37481268
_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
[/CIF]
| Fe2 | Im-3m | 229 | cubic | m-3m | 8,152.468686 | false |
[CIF]
data_CrCo3Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70638826
_cell_length_b 4.70638826
_cell_length_c 4.70638826
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrCo3Pb
_chemical_formula_sum 'Cr1 Co3 Pb1'
_cell_volume 104.24692567
_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
Pb Pb0 1 2.35319413 2.35319413 2.35319413 1
Cr Cr1 1 0.00000000 0.00000000 0.00000000 1
Co Co2 1 2.35319413 0.00000000 2.35319413 1
Co Co3 1 2.35319413 2.35319413 0.00000000 1
Co Co4 1 0.00000000 2.35319413 2.35319413 1
[/CIF]
| Co3CrPb | Pm-3m | 221 | cubic | m-3m | 6,944.932555 | false |
[CIF]
data_K3BaSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.82198504
_cell_length_b 6.82198504
_cell_length_c 6.82198504
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K3BaSb
_chemical_formula_sum 'K3 Ba1 Sb1'
_cell_volume 317.49163555
_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
Sb Sb0 1 0.00000000 0.00000000 0.00000000 1
K K1 1 0.00000000 3.41099252 0.00000000 1
K K2 1 0.00000000 0.00000000 3.41099252 1
K K3 1 3.41099252 0.00000000 0.00000000 1
Ba Ba4 1 3.41099252 3.41099252 3.41099252 1
[/CIF]
| BaK3Sb | Pm-3m | 221 | cubic | m-3m | 1,968.545873 | false |
[CIF]
data_SnGeMo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32318013
_cell_length_b 4.30721120
_cell_length_c 4.86031400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnGeMo2
_chemical_formula_sum 'Sn1 Ge1 Mo2'
_cell_volume 69.56877845
_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 0.00000000 0.00000000 0.00000000 1
Mo Mo1 1 0.00000000 2.15360560 2.43015700 1
Mo Mo2 1 1.66159006 2.15360560 0.00000000 1
Sn Sn3 1 1.66159006 0.00000000 2.43015700 1
[/CIF]
| GeMo2Sn | Pmmm | 47 | orthorhombic | mmm | 9,148.282064 | false |
[CIF]
data_AlTcW2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.82726629
_cell_length_b 2.82726629
_cell_length_c 7.78140094
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlTcW2
_chemical_formula_sum 'Al1 Tc1 W2'
_cell_volume 62.20012009
_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
Tc Tc1 1 0.00000000 0.00000000 3.89070047 1
W W2 1 1.41363314 1.41363314 5.79153767 1
W W3 1 1.41363314 1.41363314 1.98986327 1
[/CIF]
| AlTcW2 | P4/mmm | 123 | tetragonal | 4/mmm | 13,176.638739 | false |
[CIF]
data_PuNpCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11708005
_cell_length_b 5.11708005
_cell_length_c 5.11708005
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PuNpCd2
_chemical_formula_sum 'Pu1 Np1 Cd2'
_cell_volume 94.74398205
_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 1.80916100 1.80916100 1.80916100 1
Cd Cd1 1 5.42748300 5.42748300 5.42748300 1
Np Np2 1 0.00000000 0.00000000 0.00000000 1
Pu Pu3 1 3.61832200 3.61832200 3.61832200 1
[/CIF]
| Cd2NpPu | Fm-3m | 225 | cubic | m-3m | 12,370.653837 | false |
[CIF]
data_BaCu2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87940418
_cell_length_b 4.87940418
_cell_length_c 3.57557399
_cell_angle_alpha 91.41162223
_cell_angle_beta 91.41162223
_cell_angle_gamma 107.39031997
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaCu2Pd
_chemical_formula_sum 'Ba1 Cu2 Pd1'
_cell_volume 81.16781683
_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 2.88900376 0.00000000 0.00000000 1
Cu Cu1 1 1.37011671 -1.96610290 1.78623884 1
Cu Cu2 1 1.37011671 1.96610290 1.78623884 1
Pd Pd3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BaCu2Pd | C2/m | 12 | monoclinic | 2/m | 7,586.660218 | false |
[CIF]
data_GaTcAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25512185
_cell_length_b 5.25512185
_cell_length_c 5.25512185
_cell_angle_alpha 137.62640610
_cell_angle_beta 137.62640610
_cell_angle_gamma 61.47565934
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaTcAg2
_chemical_formula_sum 'Ga1 Tc1 Ag2'
_cell_volume 65.17206403
_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 1.89925211 2.25842802 1
Ag Ag1 1 1.89925211 -0.00000000 2.25842802 1
Ga Ga2 1 0.00000000 0.00000000 0.00000000 1
Tc Tc3 1 0.00000000 0.00000000 4.51685604 1
[/CIF]
| Ag2GaTc | I4/mmm | 139 | tetragonal | 4/mmm | 9,793.369355 | false |
[CIF]
data_ScTaBiPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18166106
_cell_length_b 5.18166106
_cell_length_c 5.18166106
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScTaBiPb
_chemical_formula_sum 'Sc1 Ta1 Bi1 Pb1'
_cell_volume 98.37664472
_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 3.66398767 3.66398767 3.66398767 1
Pb Pb1 1 5.49598151 5.49598151 5.49598151 1
Sc Sc2 1 0.00000000 0.00000000 0.00000000 1
Ta Ta3 1 1.83199383 1.83199384 1.83199383 1
[/CIF]
| BiPbScTa | F-43m | 216 | cubic | -43m | 10,837.998063 | false |
[CIF]
data_YAlCr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75172681
_cell_length_b 4.75172681
_cell_length_c 5.31655738
_cell_angle_alpha 101.94550911
_cell_angle_beta 101.94550911
_cell_angle_gamma 37.33030637
_symmetry_Int_Tables_number 1
_chemical_formula_structural YAlCr2
_chemical_formula_sum 'Y1 Al1 Cr2'
_cell_volume 71.03611320
_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
Cr Cr1 1 6.39594119 0.00000000 0.98923967 1
Cr Cr2 1 1.44616113 0.00000000 4.19888698 1
Y Y3 1 3.92105116 -0.00000000 2.59406333 1
[/CIF]
| AlCr2Y | C2/m | 12 | monoclinic | 2/m | 5,139.90181 | false |
[CIF]
data_TlRe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91985971
_cell_length_b 4.91985971
_cell_length_c 4.91985971
_cell_angle_alpha 102.19711508
_cell_angle_beta 102.19711508
_cell_angle_gamma 125.27130668
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlRe4
_chemical_formula_sum 'Tl1 Re4'
_cell_volume 86.34517869
_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
Re Re0 1 0.00000000 1.84053714 2.26139992 1
Re Re1 1 3.08958654 1.24904940 -0.00000000 1
Re Re2 1 1.84053714 -0.00000000 2.26139992 1
Re Re3 1 1.24904940 3.08958654 0.00000000 1
Tl Tl4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Re8Tl2 | I4/mmm | 139 | tetragonal | 4/mmm | 18,254.666561 | false |
[CIF]
data_CuCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82332637
_cell_length_b 3.82332637
_cell_length_c 3.82332637
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CuCl
_chemical_formula_sum 'Cu1 Cl1'
_cell_volume 39.51928854
_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
Cl Cl0 1 0.00000000 0.00000000 0.00000000 1
Cu Cu1 1 4.05525000 4.05525000 4.05525000 1
[/CIF]
| Cl4Cu4 | F-43m | 216 | cubic | -43m | 4,159.784074 | false |
[CIF]
data_MnCrRe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94516300
_cell_length_b 3.94516300
_cell_length_c 3.94516300
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnCrRe
_chemical_formula_sum 'Mn1 Cr1 Re1'
_cell_volume 43.41900395
_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 0.00000000 1
Mn Mn1 1 1.39482576 1.39482576 1.39482576 1
Re Re2 1 4.18447726 4.18447726 4.18447726 1
[/CIF]
| CrMnRe | F-43m | 216 | cubic | -43m | 11,211.04307 | false |
[CIF]
data_NaFeSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.73072808
_cell_length_b 2.73072808
_cell_length_c 7.88501615
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaFeSi2
_chemical_formula_sum 'Na1 Fe1 Si2'
_cell_volume 58.79758632
_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 3.94250808 1
Na Na1 1 0.00000000 0.00000000 0.00000000 1
Si Si2 1 1.36536404 1.36536404 2.49079570 1
Si Si3 1 1.36536404 1.36536404 5.39422045 1
[/CIF]
| FeNaSi2 | P4/mmm | 123 | tetragonal | 4/mmm | 3,812.795524 | false |
[CIF]
data_Na2GaIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74913420
_cell_length_b 4.74913420
_cell_length_c 4.74913420
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2GaIr
_chemical_formula_sum 'Na2 Ga1 Ir1'
_cell_volume 75.74052811
_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 0.00000000 0.00000000 1
Ir Ir1 1 3.35814500 3.35814500 3.35814500 1
Na Na2 1 5.03721750 5.03721750 5.03721750 1
Na Na3 1 1.67907250 1.67907250 1.67907250 1
[/CIF]
| GaIrNa2 | Fm-3m | 225 | cubic | m-3m | 6,750.843121 | false |
[CIF]
data_La2SnPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65236164
_cell_length_b 3.65236164
_cell_length_c 8.20659002
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2SnPt
_chemical_formula_sum 'La2 Sn1 Pt1'
_cell_volume 109.47382239
_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 1.82618082 1.82618082 2.30340993 1
La La1 1 1.82618082 1.82618082 5.90318009 1
Pt Pt2 1 0.00000000 0.00000000 4.10329501 1
Sn Sn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| La2PtSn | P4/mmm | 123 | tetragonal | 4/mmm | 8,974.072826 | false |
[CIF]
data_Cd2TePt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39883148
_cell_length_b 5.39883148
_cell_length_c 5.39883148
_cell_angle_alpha 131.87485857
_cell_angle_beta 131.87485857
_cell_angle_gamma 70.42674611
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd2TePt
_chemical_formula_sum 'Cd2 Te1 Pt1'
_cell_volume 85.49502032
_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 2.20128743 2.20545056 1
Cd Cd1 1 0.00000000 0.00000000 0.00000000 1
Pt Pt2 1 2.20128743 0.00000000 2.20545056 1
Te Te3 1 0.00000000 0.00000000 4.41090111 1
[/CIF]
| Cd2PtTe | I-4m2 | 119 | tetragonal | -42m | 10,634.012353 | false |
[CIF]
data_SiRh3Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48466153
_cell_length_b 4.48466153
_cell_length_c 4.48466153
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiRh3Pb
_chemical_formula_sum 'Si1 Rh3 Pb1'
_cell_volume 90.19636047
_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
Pb Pb0 1 2.24233077 2.24233077 2.24233077 1
Si Si1 1 0.00000000 0.00000000 0.00000000 1
Rh Rh2 1 0.00000000 2.24233077 0.00000000 1
Rh Rh3 1 0.00000000 0.00000000 2.24233077 1
Rh Rh4 1 2.24233077 0.00000000 0.00000000 1
[/CIF]
| PbRh3Si | Pm-3m | 221 | cubic | m-3m | 10,015.221996 | false |
[CIF]
data_TcAgPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46614118
_cell_length_b 4.46614118
_cell_length_c 4.46614118
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TcAgPt2
_chemical_formula_sum 'Tc1 Ag1 Pt2'
_cell_volume 62.99155727
_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 3.15803872 3.15803871 3.15803872 1
Pt Pt1 1 1.57901936 1.57901936 1.57901936 1
Pt Pt2 1 4.73705807 4.73705807 4.73705807 1
Tc Tc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AgPt2Tc | Fm-3m | 225 | cubic | m-3m | 15,736.17511 | false |
[CIF]
data_Ce2NdCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59819974
_cell_length_b 5.59819974
_cell_length_c 5.59819974
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce2NdCd
_chemical_formula_sum 'Ce2 Nd1 Cd1'
_cell_volume 124.05954153
_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 0.00000000 1
Ce Ce1 1 1.97926250 1.97926250 1.97926250 1
Ce Ce2 1 5.93778750 5.93778750 5.93778750 1
Nd Nd3 1 3.95852500 3.95852500 3.95852500 1
[/CIF]
| CdCe2Nd | Fm-3m | 225 | cubic | m-3m | 7,186.214827 | false |
[CIF]
data_LaZrPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47801738
_cell_length_b 5.47801738
_cell_length_c 5.47801738
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaZrPb2
_chemical_formula_sum 'La1 Zr1 Pb2'
_cell_volume 116.23989811
_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 5.81031486 5.81031486 5.81031486 1
Pb Pb1 1 1.93677162 1.93677162 1.93677162 1
Pb Pb2 1 3.87354324 3.87354324 3.87354324 1
Zr Zr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| LaPb2Zr | F-43m | 216 | cubic | -43m | 9,207.392486 | false |
[CIF]
data_Ta2ZnBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55021666
_cell_length_b 3.55021666
_cell_length_c 6.12298158
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta2ZnBi
_chemical_formula_sum 'Ta2 Zn1 Bi1'
_cell_volume 77.17429455
_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 0.00000000 3.06149079 1
Ta Ta1 1 1.77510833 1.77510833 4.77970174 1
Ta Ta2 1 1.77510833 1.77510833 1.34327984 1
Zn Zn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BiTa2Zn | P4/mmm | 123 | tetragonal | 4/mmm | 13,690.157017 | false |
[CIF]
data_VBRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.69886441
_cell_length_b 3.69886441
_cell_length_c 3.69886441
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VBRu
_chemical_formula_sum 'V1 B1 Ru1'
_cell_volume 35.78411150
_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
Ru Ru1 1 3.92323816 3.92323816 3.92323816 1
V V2 1 1.30774605 1.30774605 1.30774605 1
[/CIF]
| BRuV | F-43m | 216 | cubic | -43m | 7,555.675153 | false |
[CIF]
data_Hf2AlSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41213553
_cell_length_b 4.41213553
_cell_length_c 4.19599445
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2AlSb
_chemical_formula_sum 'Hf2 Al1 Sb1'
_cell_volume 81.68317193
_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
Hf Hf1 1 0.00000000 2.20606776 2.09799722 1
Hf Hf2 1 2.20606776 0.00000000 2.09799722 1
Sb Sb3 1 2.20606776 2.20606776 0.00000000 1
[/CIF]
| AlHf2Sb | P4/mmm | 123 | tetragonal | 4/mmm | 10,280.824702 | false |
[CIF]
data_BRuRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.73238493
_cell_length_b 2.73238493
_cell_length_c 7.78149014
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 118.07887713
_symmetry_Int_Tables_number 1
_chemical_formula_structural BRuRh2
_chemical_formula_sum 'B1 Ru1 Rh2'
_cell_volume 51.25816279
_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
Rh Rh1 1 1.40566979 0.00000000 1.50187670 1
Rh Rh2 1 1.40566979 0.00000000 6.27961344 1
Ru Ru3 1 0.00000000 0.00000000 3.89074507 1
[/CIF]
| BRh2Ru | Cmmm | 65 | orthorhombic | mmm | 10,291.823749 | false |
[CIF]
data_CdBi2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.25779018
_cell_length_b 6.25779018
_cell_length_c 3.45406003
_cell_angle_alpha 95.66830023
_cell_angle_beta 95.66830023
_cell_angle_gamma 113.02916329
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdBi2Pb
_chemical_formula_sum 'Cd1 Bi2 Pb1'
_cell_volume 122.47036609
_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 1.41711768 -2.60958067 1.69913091 1
Bi Bi1 1 1.41711768 2.60958067 1.69913091 1
Cd Cd2 1 0.00000000 0.00000000 0.00000000 1
Pb Pb3 1 3.45257769 -0.00000000 0.00000000 1
[/CIF]
| Bi2CdPb | C2/m | 12 | monoclinic | 2/m | 10,000.515451 | false |
[CIF]
data_Ba2CuW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59956870
_cell_length_b 5.59956870
_cell_length_c 5.59956870
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba2CuW
_chemical_formula_sum 'Ba2 Cu1 W1'
_cell_volume 124.15057468
_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 5.93923950 5.93923950 5.93923950 1
Ba Ba1 1 1.97974650 1.97974650 1.97974650 1
Cu Cu2 1 0.00000000 0.00000000 0.00000000 1
W W3 1 3.95949300 3.95949300 3.95949300 1
[/CIF]
| Ba2CuW | Fm-3m | 225 | cubic | m-3m | 6,982.39067 | false |
[CIF]
data_CrBBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05665066
_cell_length_b 4.05665066
_cell_length_c 4.05665066
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrBBr
_chemical_formula_sum 'Cr1 B1 Br1'
_cell_volume 47.20498148
_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
Br Br1 1 2.86848519 2.86848519 2.86848519 1
Cr Cr2 1 1.43424259 1.43424259 1.43424259 1
[/CIF]
| BBrCr | F-43m | 216 | cubic | -43m | 5,020.176883 | false |
[CIF]
data_Co2AuBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.64870797
_cell_length_b 3.64870797
_cell_length_c 6.87267224
_cell_angle_alpha 95.49489611
_cell_angle_beta 95.49489611
_cell_angle_gamma 54.59494378
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co2AuBr
_chemical_formula_sum 'Co2 Au1 Br1'
_cell_volume 74.14231187
_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 3.20140639 -0.00000000 3.91725898 1
Br Br1 1 4.32131489 -0.00000000 1.24467724 1
Co Co2 1 5.64103586 -0.00000000 6.45764348 1
Co Co3 1 1.19668621 -0.00000000 5.46205605 1
[/CIF]
| AuBrCo2 | Cm | 8 | monoclinic | m | 8,840.783689 | false |
[CIF]
data_SrTaAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99881720
_cell_length_b 4.99881720
_cell_length_c 4.99881720
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrTaAg2
_chemical_formula_sum 'Sr1 Ta1 Ag2'
_cell_volume 88.32563504
_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 3.53469754 3.53469754 3.53469754 1
Ag Ag1 1 1.76734877 1.76734877 1.76734877 1
Sr Sr2 1 0.00000000 0.00000000 0.00000000 1
Ta Ta3 1 5.30204631 5.30204631 5.30204631 1
[/CIF]
| Ag2SrTa | F-43m | 216 | cubic | -43m | 9,105.014379 | false |
[CIF]
data_LiRe2As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05645931
_cell_length_b 3.05645931
_cell_length_c 5.92645513
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiRe2As
_chemical_formula_sum 'Li1 Re2 As1'
_cell_volume 55.36460906
_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 1.52822966 1.52822966 3.09958261 1
Li Li1 1 0.00000000 0.00000000 4.40387692 1
Re Re2 1 1.52822966 1.52822966 5.82959872 1
Re Re3 1 0.00000000 0.00000000 1.48307963 1
[/CIF]
| AsLiRe2 | P4mm | 99 | tetragonal | 4mm | 13,625.022449 | false |
[CIF]
data_PAuSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.78216607
_cell_length_b 6.78216607
_cell_length_c 6.78216607
_cell_angle_alpha 32.49287058
_cell_angle_beta 32.49287058
_cell_angle_gamma 32.49287058
_symmetry_Int_Tables_number 1
_chemical_formula_structural PAuSe2
_chemical_formula_sum 'P1 Au1 Se2'
_cell_volume 80.05019766
_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 9.62777970 1
P P1 1 0.00000000 0.00000000 0.00000000 1
Se Se2 1 -0.00000000 0.00000000 14.33649915 1
Se Se3 1 -0.00000000 0.00000000 4.91906025 1
[/CIF]
| AuPSe2 | R-3m | 166 | trigonal | -3m | 8,004.179533 | false |
[CIF]
data_K2ZnSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.69478323
_cell_length_b 3.69478323
_cell_length_c 10.86682746
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 94.11483766
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2ZnSb
_chemical_formula_sum 'K2 Zn1 Sb1'
_cell_volume 147.96525380
_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 2.51712684 0.00000000 10.10565564 1
K K1 1 0.00000000 0.00000000 3.38888665 1
Sb Sb2 1 2.51712684 0.00000000 5.81878805 1
Zn Zn3 1 0.00000000 0.00000000 7.85373831 1
[/CIF]
| K2SbZn | Cmm2 | 35 | orthorhombic | mm2 | 2,977.738211 | false |
[CIF]
data_SrSi2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07327769
_cell_length_b 4.05258322
_cell_length_c 6.35358721
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.28706563
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrSi2Ru
_chemical_formula_sum 'Sr1 Si2 Ru1'
_cell_volume 77.86009024
_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
Ru Ru0 1 0.96932672 0.00000000 3.12572785 1
Si Si1 1 0.22713022 2.02629161 4.19986172 1
Si Si2 1 1.71152322 2.02629161 2.05159398 1
Sr Sr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| RuSi2Sr | P2/m | 10 | monoclinic | 2/m | 5,222.203765 | false |
[CIF]
data_Li2CrIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.83375455
_cell_length_b 2.83375455
_cell_length_c 8.26440680
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 91.03988800
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2CrIn
_chemical_formula_sum 'Li2 Cr1 In1'
_cell_volume 66.35361906
_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 4.19004185 1
In In1 1 1.98550115 0.00000000 2.12867756 1
Li Li2 1 0.00000000 0.00000000 0.01423205 1
Li Li3 1 1.98550115 0.00000000 6.06365866 1
[/CIF]
| CrInLi2 | Cmm2 | 35 | orthorhombic | mm2 | 4,522.02815 | false |
[CIF]
data_VPdW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.67630173
_cell_length_b 6.55806557
_cell_length_c 2.69386685
_cell_angle_alpha 80.72929327
_cell_angle_beta 75.80335293
_cell_angle_gamma 23.46735379
_symmetry_Int_Tables_number 1
_chemical_formula_structural VPdW
_chemical_formula_sum 'V1 Pd1 W1'
_cell_volume 44.90785747
_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 1.68702962 2.10020229 12.62982740 1
V V1 1 1.68702962 2.10020229 4.22945922 1
W W2 1 1.68702962 2.10020229 8.49016074 1
[/CIF]
| PdVW | Fmm2 | 42 | orthorhombic | mm2 | 12,616.465186 | false |
[CIF]
data_LiInRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90128325
_cell_length_b 4.90128325
_cell_length_c 2.93651976
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 117.67091527
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiInRu2
_chemical_formula_sum 'Li1 In1 Ru2'
_cell_volume 62.47475951
_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 2.53640215 -0.00000000 0.00000000 1
Li Li1 1 0.00000000 0.00000000 0.00000000 1
Ru Ru2 1 1.26820108 2.09697649 1.46825988 1
Ru Ru3 1 1.26820107 -2.09697649 1.46825988 1
[/CIF]
| InLiRu2 | Cmmm | 65 | orthorhombic | mmm | 8,609.027828 | false |
[CIF]
data_KMgBi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17201276
_cell_length_b 4.17201276
_cell_length_c 7.97114461
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KMgBi2
_chemical_formula_sum 'K1 Mg1 Bi2'
_cell_volume 138.74327577
_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 2.08600638 2.08600638 7.89523978 1
Bi Bi1 1 0.00000000 0.00000000 1.58292145 1
K K2 1 2.08600638 2.08600638 3.95069432 1
Mg Mg3 1 0.00000000 0.00000000 6.49900596 1
[/CIF]
| Bi2KMg | P4mm | 99 | tetragonal | 4mm | 5,761.172128 | false |
[CIF]
data_SrMnMoPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68142442
_cell_length_b 4.68142442
_cell_length_c 4.68142442
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrMnMoPt
_chemical_formula_sum 'Sr1 Mn1 Mo1 Pt1'
_cell_volume 72.54693180
_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 0.00000000 0.00000000 0.00000000 1
Mo Mo1 1 4.96540042 4.96540043 4.96540043 1
Pt Pt2 1 3.31026695 3.31026695 3.31026695 1
Sr Sr3 1 1.65513347 1.65513347 1.65513347 1
[/CIF]
| MnMoPtSr | F-43m | 216 | cubic | -43m | 9,924.79099 | false |
[CIF]
data_Y3V
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34011950
_cell_length_b 5.34011950
_cell_length_c 3.95270596
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y3V
_chemical_formula_sum 'Y3 V1'
_cell_volume 112.71882676
_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
V V0 1 0.00000000 0.00000000 0.00000000 1
Y Y1 1 2.67005975 0.00000000 1.97635298 1
Y Y2 1 0.00000000 2.67005975 1.97635298 1
Y Y3 1 2.67005975 2.67005975 0.00000000 1
[/CIF]
| VY3 | P4/mmm | 123 | tetragonal | 4/mmm | 4,679.655365 | false |
[CIF]
data_GeSb2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34262701
_cell_length_b 3.34262701
_cell_length_c 7.60007142
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GeSb2Ir
_chemical_formula_sum 'Ge1 Sb2 Ir1'
_cell_volume 84.91677848
_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 0.00000000 0.00000000 4.16661725 1
Ir Ir1 1 1.67131351 1.67131351 5.42445362 1
Sb Sb2 1 0.00000000 0.00000000 7.10744209 1
Sb Sb3 1 1.67131351 1.67131351 2.30166567 1
[/CIF]
| GeIrSb2 | P4mm | 99 | tetragonal | 4mm | 9,941.261129 | false |
[CIF]
data_LaGa2Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74976678
_cell_length_b 4.74976678
_cell_length_c 4.74976678
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaGa2Co
_chemical_formula_sum 'La1 Ga2 Co1'
_cell_volume 75.77079772
_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
Ga Ga1 1 1.67929615 1.67929615 1.67929615 1
Ga Ga2 1 5.03788845 5.03788845 5.03788845 1
La La3 1 3.35859230 3.35859230 3.35859230 1
[/CIF]
| CoGa2La | Fm-3m | 225 | cubic | m-3m | 7,391.691517 | false |
[CIF]
data_CaZn2As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.56062670
_cell_length_b 3.56062670
_cell_length_c 6.48164758
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaZn2As
_chemical_formula_sum 'Ca1 Zn2 As1'
_cell_volume 82.17473310
_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 1.78031335 1.78031335 2.97872638 1
Ca Ca1 1 0.00000000 0.00000000 4.78900258 1
Zn Zn2 1 1.78031335 1.78031335 0.38243393 1
Zn Zn3 1 0.00000000 0.00000000 1.57230848 1
[/CIF]
| AsCaZn2 | P4mm | 99 | tetragonal | 4mm | 4,966.166623 | false |
[CIF]
data_La2PbW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38222105
_cell_length_b 5.38222105
_cell_length_c 5.38222105
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2PbW
_chemical_formula_sum 'La2 Pb1 W1'
_cell_volume 110.24771391
_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 1.90290250 1.90290250 1.90290250 1
La La1 1 5.70870750 5.70870750 5.70870750 1
Pb Pb2 1 3.80580500 3.80580500 3.80580500 1
W W3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| La2PbW | Fm-3m | 225 | cubic | m-3m | 10,074.160055 | false |
[CIF]
data_HfSc2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08505013
_cell_length_b 5.08505013
_cell_length_c 5.08505013
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfSc2Br
_chemical_formula_sum 'Hf1 Sc2 Br1'
_cell_volume 92.97597009
_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
Hf Hf1 1 3.59567343 3.59567343 3.59567343 1
Sc Sc2 1 5.39351015 5.39351015 5.39351015 1
Sc Sc3 1 1.79783672 1.79783672 1.79783672 1
[/CIF]
| BrHfSc2 | Fm-3m | 225 | cubic | m-3m | 6,220.697964 | false |
[CIF]
data_YFeSnW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75733371
_cell_length_b 4.75733371
_cell_length_c 4.75733371
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YFeSnW
_chemical_formula_sum 'Y1 Fe1 Sn1 W1'
_cell_volume 76.13350982
_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
W W0 1 1.68197146 1.68197146 1.68197146 1
Fe Fe1 1 0.00000000 0.00000000 0.00000000 1
Sn Sn2 1 5.04591439 5.04591439 5.04591439 1
Y Y3 1 3.36394292 3.36394293 3.36394293 1
[/CIF]
| FeSnWY | F-43m | 216 | cubic | -43m | 9,756.026455 | false |
[CIF]
data_NbInCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46043651
_cell_length_b 4.46043651
_cell_length_c 4.46043651
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbInCu2
_chemical_formula_sum 'Nb1 In1 Cu2'
_cell_volume 62.75048539
_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 4.73100736 4.73100736 4.73100736 1
Cu Cu1 1 1.57700245 1.57700245 1.57700245 1
In In2 1 3.15400491 3.15400491 3.15400491 1
Nb Nb3 1 -0.00000000 -0.00000000 0.00000000 1
[/CIF]
| Cu2InNb | Fm-3m | 225 | cubic | m-3m | 8,860.279979 | false |
[CIF]
data_GaPdW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20486465
_cell_length_b 4.20486465
_cell_length_c 4.20486465
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaPdW
_chemical_formula_sum 'Ga1 Pd1 W1'
_cell_volume 52.57037388
_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 0.00000000 0.00000000 1
Pd Pd1 1 1.48664415 1.48664415 1.48664415 1
W W2 1 4.45993246 4.45993246 4.45993246 1
[/CIF]
| GaPdW | F-43m | 216 | cubic | -43m | 11,370.773892 | false |
[CIF]
data_Fe2AsPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.34678766
_cell_length_b 8.34678766
_cell_length_c 8.34678766
_cell_angle_alpha 19.27536535
_cell_angle_beta 19.27536535
_cell_angle_gamma 19.27536535
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe2AsPt
_chemical_formula_sum 'Fe2 As1 Pt1'
_cell_volume 55.39597252
_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
Fe Fe1 1 -0.00000000 -0.00000000 18.33953333 1
Fe Fe2 1 0.00000000 0.00000000 6.22847840 1
Pt Pt3 1 -0.00000000 -0.00000000 12.28400587 1
[/CIF]
| AsFe2Pt | R-3m | 166 | trigonal | -3m | 11,441.634223 | false |
[CIF]
data_BeVCuAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21187846
_cell_length_b 4.21187846
_cell_length_c 4.21187846
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeVCuAg
_chemical_formula_sum 'Be1 V1 Cu1 Ag1'
_cell_volume 52.83387853
_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 1.48912391 1.48912391 1.48912391 1
Be Be1 1 -0.00000000 -0.00000000 0.00000000 1
Cu Cu2 1 4.46737173 4.46737173 4.46737173 1
V V3 1 2.97824782 2.97824782 2.97824782 1
[/CIF]
| AgBeCuV | F-43m | 216 | cubic | -43m | 7,271.762315 | false |
[CIF]
data_CrP2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.97843750
_cell_length_b 2.97843750
_cell_length_c 5.85783599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrP2Pt
_chemical_formula_sum 'Cr1 P2 Pt1'
_cell_volume 51.96538993
_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 0.00000000 1
P P1 1 1.48921875 1.48921875 1.27286113 1
P P2 1 1.48921875 1.48921875 4.58497486 1
Pt Pt3 1 0.00000000 0.00000000 2.92891799 1
[/CIF]
| CrP2Pt | P4/mmm | 123 | tetragonal | 4/mmm | 9,874.88871 | false |
[CIF]
data_MnI
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14876201
_cell_length_b 4.14876201
_cell_length_c 4.14876201
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnI
_chemical_formula_sum 'Mn1 I1'
_cell_volume 50.49409232
_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
I I0 1 2.93361775 2.93361775 2.93361775 1
Mn Mn1 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| IMn | Fm-3m | 225 | cubic | m-3m | 5,980.038184 | false |
[CIF]
data_ScNiCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64783613
_cell_length_b 5.64783613
_cell_length_c 5.64783613
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScNiCl4
_chemical_formula_sum 'Sc1 Ni1 Cl4'
_cell_volume 127.38880548
_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
Cl Cl0 1 4.98933608 4.98933608 2.99791038 1
Cl Cl1 1 4.98933608 2.99791038 4.98933608 1
Cl Cl2 1 2.99791038 4.98933608 4.98933608 1
Cl Cl3 1 2.99791038 2.99791038 2.99791038 1
Ni Ni4 1 5.99043484 5.99043485 5.99043485 1
Sc Sc5 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Cl4NiSc | F-43m | 216 | cubic | -43m | 3,199.638276 | false |
[CIF]
data_PaAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.58733544
_cell_length_b 3.58733544
_cell_length_c 3.58733544
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PaAg
_chemical_formula_sum 'Pa1 Ag1'
_cell_volume 46.16533210
_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 0.00000000 1
Pa Pa1 1 1.79366772 1.79366772 1.79366772 1
[/CIF]
| AgPa | Pm-3m | 221 | cubic | m-3m | 12,190.174728 | false |
[CIF]
data_AsRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29605295
_cell_length_b 5.29605295
_cell_length_c 5.29605295
_cell_angle_alpha 147.44700197
_cell_angle_beta 147.44700197
_cell_angle_gamma 46.70237566
_symmetry_Int_Tables_number 1
_chemical_formula_structural AsRu2
_chemical_formula_sum 'As1 Ru2'
_cell_volume 42.85149535
_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
Ru Ru1 1 -0.00000000 0.00000000 6.34159334 1
Ru Ru2 1 -0.00000000 0.00000000 3.38294108 1
[/CIF]
| AsRu2 | I4/mmm | 139 | tetragonal | 4/mmm | 10,736.419043 | false |
[CIF]
data_AlTlSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00479062
_cell_length_b 6.00479062
_cell_length_c 6.00479062
_cell_angle_alpha 134.72607492
_cell_angle_beta 134.72607492
_cell_angle_gamma 65.95611643
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlTlSb2
_chemical_formula_sum 'Al1 Tl1 Sb2'
_cell_volume 107.62869451
_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
Sb Sb1 1 2.31118880 -0.00000000 2.51864662 1
Sb Sb2 1 -0.00000000 2.31118880 2.51864662 1
Tl Tl3 1 0.00000000 -0.00000000 5.03729323 1
[/CIF]
| AlSb2Tl | I4/mmm | 139 | tetragonal | 4/mmm | 7,326.715522 | false |
[CIF]
data_Cd2IrPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.86947183
_cell_length_b 2.86947183
_cell_length_c 9.29950143
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 115.64771479
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd2IrPd
_chemical_formula_sum 'Cd2 Ir1 Pd1'
_cell_volume 69.02652671
_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 1.52806228 0.00000000 2.31675875 1
Cd Cd1 1 1.52806228 0.00000000 6.98274268 1
Ir Ir2 1 0.00000000 0.00000000 4.64975071 1
Pd Pd3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Cd2IrPd | Cmmm | 65 | orthorhombic | mmm | 12,592.609836 | false |
[CIF]
data_GaBOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11365501
_cell_length_b 4.11365501
_cell_length_c 4.11365501
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaBOs2
_chemical_formula_sum 'Ga1 B1 Os2'
_cell_volume 49.22305947
_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
Ga Ga1 1 2.90879335 2.90879335 2.90879335 1
Os Os2 1 4.36319003 4.36319003 4.36319003 1
Os Os3 1 1.45439668 1.45439668 1.45439668 1
[/CIF]
| BGaOs2 | Fm-3m | 225 | cubic | m-3m | 15,551.625093 | false |
[CIF]
data_Ca2Mg2Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50357512
_cell_length_b 4.50357512
_cell_length_c 8.37222381
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca2Mg2Cu
_chemical_formula_sum 'Ca2 Mg2 Cu1'
_cell_volume 147.05719701
_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 2.60014031 5.64552648 1
Ca Ca1 1 2.25178756 1.30007015 2.72669733 1
Cu Cu2 1 0.00000000 0.00000000 0.00000000 1
Mg Mg3 1 -0.00000000 2.60014031 0.72596976 1
Mg Mg4 1 2.25178756 1.30007015 7.64625405 1
[/CIF]
| Ca2CuMg2 | P-3m1 | 164 | trigonal | -3m | 2,171.600905 | false |