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_NaNiW2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17090911
_cell_length_b 5.17090911
_cell_length_c 5.38235572
_cell_angle_alpha 110.05386516
_cell_angle_beta 110.05386516
_cell_angle_gamma 29.54172596
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaNiW2
_chemical_formula_sum 'Na1 Ni1 W2'
_cell_volume 66.34674372
_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 3.92122078 0.00000000 2.10422986 1
Ni Ni1 1 6.56916441 0.00000000 1.71287376 1
W W2 1 -1.44320148 -0.00000000 4.85423236 1
W W3 1 1.18113505 0.00000000 3.91004880 1
[/CIF]
| NaNiW2 | Cm | 8 | monoclinic | m | 11,246.747855 | false |
[CIF]
data_SrTlTcOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.86643428
_cell_length_b 4.86643428
_cell_length_c 4.86643428
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrTlTcOs
_chemical_formula_sum 'Sr1 Tl1 Tc1 Os1'
_cell_volume 81.49249049
_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
Os Os0 1 1.72054434 1.72054434 1.72054434 1
Sr Sr1 1 0.00000000 0.00000000 0.00000000 1
Tc Tc2 1 3.44108868 3.44108868 3.44108868 1
Tl Tl3 1 5.16163302 5.16163302 5.16163302 1
[/CIF]
| OsSrTcTl | F-43m | 216 | cubic | -43m | 11,841.641323 | false |
[CIF]
data_MgFePtRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35411355
_cell_length_b 4.35411355
_cell_length_c 4.35411355
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgFePtRh
_chemical_formula_sum 'Mg1 Fe1 Pt1 Rh1'
_cell_volume 58.36926915
_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 3.07882322 3.07882322 3.07882322 1
Mg Mg1 1 0.00000000 0.00000000 0.00000000 1
Pt Pt2 1 4.61823483 4.61823483 4.61823483 1
Rh Rh3 1 1.53941161 1.53941161 1.53941161 1
[/CIF]
| FeMgPtRh | F-43m | 216 | cubic | -43m | 10,757.637049 | false |
[CIF]
data_Hg2IrPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25773387
_cell_length_b 5.07106162
_cell_length_c 5.26132494
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hg2IrPb
_chemical_formula_sum 'Hg2 Ir1 Pb1'
_cell_volume 86.91797821
_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 1.62886694 0.00000000 2.63066247 1
Hg Hg1 1 0.00000000 2.53553081 2.63066247 1
Ir Ir2 1 0.00000000 0.00000000 0.00000000 1
Pb Pb3 1 1.62886694 2.53553081 0.00000000 1
[/CIF]
| Hg2IrPb | Pmmm | 47 | orthorhombic | mmm | 15,295.139424 | false |
[CIF]
data_CaCuMo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59120200
_cell_length_b 4.59120200
_cell_length_c 4.59120200
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaCuMo2
_chemical_formula_sum 'Ca1 Cu1 Mo2'
_cell_volume 68.43278358
_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
Cu Cu1 1 4.86970511 4.86970511 4.86970511 1
Mo Mo2 1 3.24647007 3.24647007 3.24647007 1
Mo Mo3 1 1.62323504 1.62323504 1.62323504 1
[/CIF]
| CaCuMo2 | F-43m | 216 | cubic | -43m | 7,171.451054 | false |
[CIF]
data_Ti2AlIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.50292121
_cell_length_b 3.50292121
_cell_length_c 6.02880937
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2AlIn
_chemical_formula_sum 'Ti2 Al1 In1'
_cell_volume 73.97624616
_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 2.88502125 1
In In1 1 1.75146061 1.75146061 4.52235116 1
Ti Ti2 1 0.00000000 0.00000000 0.20170594 1
Ti Ti3 1 1.75146061 1.75146061 1.43413571 1
[/CIF]
| AlInTi2 | P4mm | 99 | tetragonal | 4mm | 5,331.896939 | false |
[CIF]
data_LaTaVHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95591755
_cell_length_b 4.95591755
_cell_length_c 4.95591755
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaTaVHg
_chemical_formula_sum 'La1 Ta1 V1 Hg1'
_cell_volume 86.07107379
_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 5.25654436 5.25654436 5.25654436 1
La La1 1 3.50436291 3.50436291 3.50436291 1
Ta Ta2 1 1.75218145 1.75218145 1.75218145 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| HgLaTaV | F-43m | 216 | cubic | -43m | 11,023.527694 | false |
[CIF]
data_MgMnRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27787689
_cell_length_b 4.27787689
_cell_length_c 4.27787689
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgMnRh
_chemical_formula_sum 'Mg1 Mn1 Rh1'
_cell_volume 55.35665629
_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
Mg Mg0 1 0.00000000 0.00000000 0.00000000 1
Mn Mn1 1 3.02491576 3.02491576 3.02491576 1
Rh Rh2 1 1.51245788 1.51245788 1.51245788 1
[/CIF]
| MgMnRh | F-43m | 216 | cubic | -43m | 5,463.927831 | false |
[CIF]
data_BPPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14586116
_cell_length_b 5.14586116
_cell_length_c 7.83798067
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BPPt2
_chemical_formula_sum 'B3 P3 Pt6'
_cell_volume 179.74257065
_cell_formula_units_Z 3
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 -1.28646529 2.22822324 5.22532045 1
B B1 1 1.28646529 2.22822324 2.61266022 1
B B2 1 2.57293058 0.00000000 0.00000000 1
P P3 1 -1.28646529 2.22822324 1.30633011 1
P P4 1 1.28646529 2.22822324 6.53165056 1
P P5 1 2.57293058 0.00000000 3.91899034 1
Pt Pt6 1 1.15846822 0.66884194 1.30633011 1
Pt Pt7 1 3.98739294 0.66884194 6.53165056 1
Pt Pt8 1 2.57293058 3.11876261 3.91899034 1
Pt Pt9 1 1.41446236 3.78760455 1.30633011 1
Pt Pt10 1 -1.41446236 3.78760455 6.53165056 1
Pt Pt11 1 -0.00000000 1.33768388 3.91899034 1
[/CIF]
| B3P3Pt6 | P6_222 | 180 | hexagonal | 622 | 11,971.695413 | false |
[CIF]
data_HfZrPdAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71556304
_cell_length_b 4.71556304
_cell_length_c 4.71556304
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfZrPdAu
_chemical_formula_sum 'Hf1 Zr1 Pd1 Au1'
_cell_volume 74.14564823
_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 3.33440660 3.33440660 3.33440660 1
Hf Hf1 1 5.00160990 5.00160990 5.00160990 1
Pd Pd2 1 1.66720330 1.66720330 1.66720330 1
Zr Zr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AuHfPdZr | F-43m | 216 | cubic | -43m | 12,834.952646 | false |
[CIF]
data_BaSbIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.52738610
_cell_length_b 6.52738610
_cell_length_c 6.52738610
_cell_angle_alpha 147.17832485
_cell_angle_beta 147.17832485
_cell_angle_gamma 47.09981555
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaSbIr
_chemical_formula_sum 'Ba1 Sb1 Ir1'
_cell_volume 81.39886236
_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 -0.00000000 0.00000000 11.91645331 1
Ir Ir1 1 -0.00000000 0.00000000 3.45850148 1
Sb Sb2 1 0.00000000 0.00000000 8.55998817 1
[/CIF]
| BaIrSb | I4mm | 107 | tetragonal | 4mm | 9,206.771468 | false |
[CIF]
data_TlCdRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88280240
_cell_length_b 5.88280240
_cell_length_c 5.88280240
_cell_angle_alpha 150.76060497
_cell_angle_beta 132.24704080
_cell_angle_gamma 56.98114424
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlCdRu2
_chemical_formula_sum 'Tl1 Cd1 Ru2'
_cell_volume 73.12185496
_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 7.93215185 1
Ru Ru1 1 1.48483126 0.00000000 0.26129392 1
Ru Ru2 1 0.00000000 -0.00000000 2.35021657 1
Tl Tl3 1 1.48483126 -0.00000000 4.96744538 1
[/CIF]
| CdRu2Tl | Imm2 | 44 | orthorhombic | mm2 | 11,784.584495 | false |
[CIF]
data_Sm4In21Pd10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.89594458
_cell_length_b 11.89594458
_cell_length_c 17.43156113
_cell_angle_alpha 123.81637593
_cell_angle_beta 123.81637593
_cell_angle_gamma 21.95611506
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm4In21Pd10
_chemical_formula_sum 'Sm4 In21 Pd10'
_cell_volume 759.79666921
_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
Sm Sm0 1 2.11729200 0.03104478 4.66605840 1
Sm Sm1 1 -5.41344827 0.00942172 11.97908709 1
Sm Sm2 1 18.88786927 0.00942172 2.38071091 1
Sm Sm3 1 11.35712900 0.03104478 9.69373960 1
In In4 1 9.40137795 -0.00741459 1.90387946 1
In In5 1 4.07304305 -0.00741459 12.45591854 1
In In6 1 1.11379804 0.02491466 11.43041357 1
In In7 1 -1.46642122 -0.02646192 4.27367692 1
In In8 1 9.11235972 0.01663016 7.11223563 1
In In9 1 -0.30300449 -0.01471591 7.24045427 1
In In10 1 7.80521798 0.02478100 10.05883746 1
In In11 1 14.94084222 -0.02646192 10.08612108 1
In In12 1 -5.57990420 -0.00186441 8.55361472 1
In In13 1 13.77742549 -0.01471591 7.11934373 1
In In14 1 5.66920302 0.02478100 4.30096054 1
In In15 1 11.67825100 0.01398646 0.00000000 1
In In16 1 15.43192747 0.00883725 2.95744348 1
In In17 1 -2.88377757 0.00202299 14.32941267 1
In In18 1 12.36062296 0.02491466 2.92938443 1
In In19 1 4.36206128 0.01663016 7.24756237 1
In In20 1 16.35819857 0.00202299 0.03038533 1
In In21 1 -1.95750647 0.00883725 11.40235452 1
In In22 1 2.16098288 0.04652186 0.72584471 1
In In23 1 19.05432520 -0.00186441 5.80618328 1
In In24 1 11.31343812 0.04652186 13.63395329 1
Pd Pd25 1 8.44036867 -0.03789982 4.45406470 1
Pd Pd26 1 2.02785252 0.03425936 8.83095985 1
Pd Pd27 1 11.44656848 0.03425936 5.52883815 1
Pd Pd28 1 16.25544609 0.02052435 5.65540541 1
Pd Pd29 1 8.78607600 0.01536608 12.72625610 1
Pd Pd30 1 14.00052698 -0.00035793 12.76449624 1
Pd Pd31 1 4.68834500 0.01536608 1.63354190 1
Pd Pd32 1 -2.78102509 0.02052435 8.70439259 1
Pd Pd33 1 -0.52610598 -0.00035793 1.59530176 1
Pd Pd34 1 5.03405233 -0.03789982 9.90573330 1
[/CIF]
| In21Pd10Sm4 | C2 | 5 | monoclinic | 2 | 8,909.904229 | false |
[CIF]
data_MnInBiRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62256497
_cell_length_b 4.62256497
_cell_length_c 4.62256497
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnInBiRu
_chemical_formula_sum 'Mn1 In1 Bi1 Ru1'
_cell_volume 69.84479951
_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 4.90297056 4.90297056 4.90297056 1
In In1 1 1.63432352 1.63432352 1.63432352 1
Mn Mn2 1 0.00000000 0.00000000 0.00000000 1
Ru Ru3 1 3.26864704 3.26864704 3.26864704 1
[/CIF]
| BiInMnRu | F-43m | 216 | cubic | -43m | 11,407.253681 | false |
[CIF]
data_Sc2ReRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.57221545
_cell_length_b 8.57221545
_cell_length_c 8.57221545
_cell_angle_alpha 20.85354297
_cell_angle_beta 20.85354297
_cell_angle_gamma 20.85354297
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc2ReRh
_chemical_formula_sum 'Sc2 Re1 Rh1'
_cell_volume 69.89215566
_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 -0.00000000 12.57442074 1
Rh Rh1 1 0.00000000 -0.00000000 -0.00000000 1
Sc Sc2 1 0.00000000 -0.00000000 6.31654146 1
Sc Sc3 1 0.00000000 0.00000000 18.83230002 1
[/CIF]
| ReRhSc2 | R-3m | 166 | trigonal | -3m | 9,005.083503 | false |
[CIF]
data_TaSnGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84082820
_cell_length_b 4.84082820
_cell_length_c 4.84082820
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaSnGe2
_chemical_formula_sum 'Ta1 Sn1 Ge2'
_cell_volume 80.21286215
_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
Ge Ge1 1 5.13447368 5.13447368 5.13447368 1
Sn Sn2 1 3.42298245 3.42298245 3.42298245 1
Ta Ta3 1 1.71149123 1.71149123 1.71149123 1
[/CIF]
| Ge2SnTa | F-43m | 216 | cubic | -43m | 9,210.950865 | false |
[CIF]
data_K2BeB
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48451767
_cell_length_b 3.48451767
_cell_length_c 9.02846910
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2BeB
_chemical_formula_sum 'K2 Be1 B1'
_cell_volume 109.62243842
_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 4.51423455 1
Be Be1 1 0.00000000 0.00000000 0.00000000 1
K K2 1 1.74225883 1.74225883 2.52212135 1
K K3 1 1.74225883 1.74225883 6.50634775 1
[/CIF]
| BBeK2 | P4/mmm | 123 | tetragonal | 4/mmm | 1,484.785192 | false |
[CIF]
data_YZrO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.07894037
_cell_length_b 9.07894037
_cell_length_c 9.07894037
_cell_angle_alpha 109.57915615
_cell_angle_beta 109.42338032
_cell_angle_gamma 109.41117962
_symmetry_Int_Tables_number 1
_chemical_formula_structural YZrO3
_chemical_formula_sum 'Y8 Zr8 O24'
_cell_volume 576.07952481
_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
Y Y0 1 2.61737200 5.11926194 -0.00000000 1
Y Y1 1 7.85211600 0.12556106 0.00000000 1
Y Y2 1 5.23474400 2.62241150 0.24644934 1
Y Y3 1 5.23474400 -2.62241150 4.99916266 1
Y Y4 1 0.22598390 5.24482300 2.62280600 1
Y Y5 1 5.00876010 5.24482300 -2.62280600 1
Y Y6 1 2.61737200 0.22223364 5.24561200 1
Y Y7 1 -2.61737200 5.02258936 5.24561200 1
Zr Zr8 1 2.51304355 2.74065079 7.72582128 1
Zr Zr9 1 2.72170045 7.74899521 2.48020928 1
Zr Zr10 1 2.51304355 7.74899521 -2.48020928 1
Zr Zr11 1 2.72170045 2.74065079 2.76540272 1
Zr Zr12 1 0.00000000 2.62241150 5.16053866 1
Zr Zr13 1 0.00000000 7.86723450 0.08507334 1
Zr Zr14 1 5.15921711 0.00000000 2.62280600 1
Zr Zr15 1 0.07552689 0.00000000 7.86841800 1
O O16 1 -3.72718484 6.50534803 3.98379577 1
O O17 1 3.72718484 -1.26052503 3.98379577 1
O O18 1 1.50755916 -1.26052503 6.50742823 1
O O19 1 3.72718484 1.26052503 1.26181623 1
O O20 1 -1.22311887 1.54885917 1.31519033 1
O O21 1 4.01162513 3.69596383 -1.31519033 1
O O22 1 6.45786287 1.54885917 -1.31519033 1
O O23 1 1.22311887 3.69596383 1.31519033 1
O O24 1 1.30459766 -1.21287056 1.50359698 1
O O25 1 -1.30459766 4.03195244 3.74201502 1
O O26 1 -1.30459766 6.45769356 1.50359698 1
O O27 1 1.30459766 1.21287056 3.74201502 1
O O28 1 3.77763730 3.85952364 6.43491289 1
O O29 1 1.45710670 6.63012236 1.18930089 1
O O30 1 3.77763730 6.63012236 -1.18930089 1
O O31 1 1.45710670 3.85952364 4.05631111 1
O O32 1 6.39072728 3.69948311 3.93990049 1
O O33 1 1.15598328 1.54533989 6.55132351 1
O O34 1 -1.15598328 3.69948311 6.55132351 1
O O35 1 4.07876072 1.54533989 3.93990049 1
O O36 1 3.96438680 6.47087380 3.66392360 1
O O37 1 6.50510120 1.22605080 1.58168840 1
O O38 1 6.50510120 -1.22605080 3.66392360 1
O O39 1 3.96438680 4.01877220 1.58168840 1
[/CIF]
| O24Y8Zr8 | I2_12_12_1 | 24 | orthorhombic | 222 | 5,260.600634 | false |
[CIF]
data_ReBiBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.17565089
_cell_length_b 3.17565089
_cell_length_c 9.94947417
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReBiBr2
_chemical_formula_sum 'Re1 Bi1 Br2'
_cell_volume 100.33804495
_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 4.97473709 1
Br Br1 1 1.58782545 1.58782545 8.37032865 1
Br Br2 1 1.58782545 1.58782545 1.57914552 1
Re Re3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BiBr2Re | P4/mmm | 123 | tetragonal | 4/mmm | 9,184.866457 | false |
[CIF]
data_La2In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63819896
_cell_length_b 5.63819896
_cell_length_c 7.12036805
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2In
_chemical_formula_sum 'La4 In2'
_cell_volume 196.02608636
_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
In In0 1 2.81909948 1.62760784 5.34027604 1
In In1 1 0.00000000 3.25521569 1.78009201 1
La La2 1 0.00000000 0.00000000 3.56018402 1
La La3 1 0.00000000 0.00000000 0.00000000 1
La La4 1 2.81909948 1.62760784 1.78009201 1
La La5 1 0.00000000 3.25521569 5.34027604 1
[/CIF]
| In2La4 | P6_3/mmc | 194 | hexagonal | 6/mmm | 6,651.927867 | false |
[CIF]
data_Li2LaTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98296241
_cell_length_b 3.98296241
_cell_length_c 6.50163467
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2LaTe
_chemical_formula_sum 'Li2 La1 Te1'
_cell_volume 103.14186428
_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 0.00000000 3.25081733 1
Li Li1 1 1.99148120 1.99148120 5.23110720 1
Li Li2 1 1.99148120 1.99148120 1.27052747 1
Te Te3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| LaLi2Te | P4/mmm | 123 | tetragonal | 4/mmm | 4,514.116243 | false |
[CIF]
data_Ga2PtPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.73939854
_cell_length_b 4.73939854
_cell_length_c 6.31211587
_cell_angle_alpha 111.12473073
_cell_angle_beta 111.12473073
_cell_angle_gamma 43.24981465
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ga2PtPb
_chemical_formula_sum 'Ga2 Pt1 Pb1'
_cell_volume 89.54867323
_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 6.22158936 0.00000000 5.15927593 1
Ga Ga1 1 6.00048048 0.00000000 1.17695452 1
Pb Pb2 1 3.73320469 0.00000000 2.90096689 1
Pt Pt3 1 -0.04396326 -0.00000000 5.30893798 1
[/CIF]
| Ga2PbPt | Cm | 8 | monoclinic | m | 10,045.529387 | false |
[CIF]
data_AlFeF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05109898
_cell_length_b 4.05109898
_cell_length_c 4.05109898
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlFeF3
_chemical_formula_sum 'Al1 Fe1 F3'
_cell_volume 66.48421773
_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
F F1 1 0.00000000 2.02554949 2.02554949 1
F F2 1 2.02554949 0.00000000 2.02554949 1
F F3 1 2.02554949 2.02554949 0.00000000 1
Fe Fe4 1 2.02554949 2.02554949 2.02554949 1
[/CIF]
| AlF3Fe | Pm-3m | 221 | cubic | m-3m | 3,492.249487 | false |
[CIF]
data_YZrTaTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82039331
_cell_length_b 4.82039331
_cell_length_c 4.82039331
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YZrTaTc
_chemical_formula_sum 'Y1 Zr1 Ta1 Tc1'
_cell_volume 79.20132155
_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
Ta Ta0 1 1.70426640 1.70426640 1.70426640 1
Tc Tc1 1 3.40853280 3.40853280 3.40853280 1
Y Y2 1 0.00000000 0.00000000 0.00000000 1
Zr Zr3 1 5.11279920 5.11279920 5.11279920 1
[/CIF]
| TaTcYZr | F-43m | 216 | cubic | -43m | 9,644.047231 | false |
[CIF]
data_NdP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.58315400
_cell_length_b 3.58315400
_cell_length_c 3.58315400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NdP
_chemical_formula_sum 'Nd1 P1'
_cell_volume 46.00408765
_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
Nd Nd0 1 1.79157700 1.79157700 1.79157700 1
P P1 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| NdP | Pm-3m | 221 | cubic | m-3m | 6,324.494904 | false |
[CIF]
data_TiMn2Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28425003
_cell_length_b 4.28425003
_cell_length_c 4.28425003
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiMn2Sb
_chemical_formula_sum 'Ti1 Mn2 Sb1'
_cell_volume 55.60443448
_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 4.54413338 4.54413338 4.54413338 1
Mn Mn1 1 1.51471113 1.51471113 1.51471113 1
Sb Sb2 1 3.02942225 3.02942225 3.02942225 1
Ti Ti3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Mn2SbTi | Fm-3m | 225 | cubic | m-3m | 8,346.92061 | false |
[CIF]
data_KSnRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12221236
_cell_length_b 5.03238663
_cell_length_c 6.10553374
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.91817563
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KSnRh2
_chemical_formula_sum 'K1 Sn1 Rh2'
_cell_volume 94.77150548
_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
Rh Rh1 1 2.11431627 2.51619332 1.50548370 1
Rh Rh2 1 0.06139314 2.51619332 4.52623865 1
Sn Sn3 1 1.08785471 0.00000000 3.01586117 1
[/CIF]
| KRh2Sn | P2/m | 10 | monoclinic | 2/m | 6,371.156076 | false |
[CIF]
data_BeCdMo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81378053
_cell_length_b 4.81378053
_cell_length_c 4.81378053
_cell_angle_alpha 131.52360466
_cell_angle_beta 131.52360466
_cell_angle_gamma 70.98249026
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeCdMo2
_chemical_formula_sum 'Be1 Cd1 Mo2'
_cell_volume 61.22717016
_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
Cd Cd1 1 1.97620628 -0.00000000 1.95970026 1
Mo Mo2 1 0.00000000 -0.00000000 3.91940052 1
Mo Mo3 1 0.00000000 1.97620628 1.95970026 1
[/CIF]
| BeCdMo2 | I-4m2 | 119 | tetragonal | -42m | 8,498.165008 | false |
[CIF]
data_SiAgHg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14446239
_cell_length_b 5.14446239
_cell_length_c 5.14446239
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiAgHg3
_chemical_formula_sum 'Si1 Ag1 Hg3'
_cell_volume 136.15073482
_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 0.00000000 0.00000000 0.00000000 1
Hg Hg1 1 0.00000000 2.57223120 0.00000000 1
Hg Hg2 1 0.00000000 0.00000000 2.57223120 1
Hg Hg3 1 2.57223120 0.00000000 0.00000000 1
Ag Ag4 1 2.57223120 2.57223120 2.57223120 1
[/CIF]
| AgHg3Si | Pm-3m | 221 | cubic | m-3m | 8,997.520475 | false |
[CIF]
data_HfTlRe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.47082810
_cell_length_b 3.47082810
_cell_length_c 6.09423819
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfTlRe2
_chemical_formula_sum 'Hf1 Tl1 Re2'
_cell_volume 73.41514047
_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
Re Re1 1 1.73541405 1.73541405 1.35677524 1
Re Re2 1 1.73541405 1.73541405 4.73746295 1
Tl Tl3 1 0.00000000 0.00000000 3.04711910 1
[/CIF]
| HfRe2Tl | P4/mmm | 123 | tetragonal | 4/mmm | 17,084.703478 | false |
[CIF]
data_LiVZnO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.90811030
_cell_length_b 8.90811030
_cell_length_c 8.90811030
_cell_angle_alpha 107.82562544
_cell_angle_beta 107.82562544
_cell_angle_gamma 107.82562544
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiVZnO4
_chemical_formula_sum 'Li6 V6 Zn6 O24'
_cell_volume 574.93727245
_cell_formula_units_Z 6
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 -1.23753039 2.66979642 4.01298033 1
Li Li1 1 2.93087672 -0.26316545 4.01298033 1
Li Li2 1 -1.69334633 -2.40663097 4.01298033 1
Li Li3 1 4.30374524 -3.90800155 5.59281285 1
Li Li4 1 -5.53630124 -1.77315194 5.59281285 1
Li Li5 1 1.23255600 5.68115349 5.59281285 1
V V6 1 -1.28484835 2.64250233 7.20383567 1
V V7 1 2.93089832 -0.20853985 7.20383567 1
V V8 1 -1.64604997 -2.43396247 7.20383567 1
V V9 1 1.28489154 -2.64409833 2.39849548 1
V V10 1 -2.93230209 0.20930045 2.39849548 1
V V11 1 1.64741055 2.43479788 2.39849548 1
Zn Zn12 1 1.24369260 -2.66430186 5.59494900 1
Zn Zn13 1 -2.92919939 0.25508154 5.59494900 1
Zn Zn14 1 1.68550679 2.40922031 5.59494900 1
Zn Zn15 1 -4.30195993 3.90333824 4.01218929 1
Zn Zn16 1 5.53137004 1.77393747 4.01218929 1
Zn Zn17 1 -1.22941011 -5.67727570 4.01218929 1
O O18 1 -0.27737117 2.62426470 5.77150936 1
O O19 1 2.41136548 -1.07192187 5.77150936 1
O O20 1 -2.13399431 -1.55234283 5.77150936 1
O O21 1 0.29583619 -2.62545754 3.85275973 1
O O22 1 -2.42163102 1.05652712 3.85275973 1
O O23 1 2.12579484 1.56893043 3.85275973 1
O O24 1 6.87784043 -1.57304096 5.46579700 1
O O25 1 -4.80121364 -5.16986405 5.46579700 1
O O26 1 -2.07662678 6.74290501 5.46579700 1
O O27 1 -6.88776762 1.57287886 4.15385712 1
O O28 1 4.80603686 5.17854230 4.15385712 1
O O29 1 2.08173076 -6.75142117 4.15385712 1
O O30 1 4.90106151 -0.09149985 4.01217968 1
O O31 1 -2.52977195 -4.19869385 4.01217968 1
O O32 1 -2.37128956 4.29019369 4.01217968 1
O O33 1 -4.90056479 0.09063119 5.59423802 1
O O34 1 2.52877131 4.19869800 5.59423802 1
O O35 1 2.37179348 -4.28932919 5.59423802 1
O O36 1 -2.35575447 1.26041197 7.18493382 1
O O37 1 2.26942602 1.40993723 7.18493382 1
O O38 1 0.08632845 -2.67034920 7.18493382 1
O O39 1 2.35326367 -1.25721997 2.40444595 1
O O40 1 -2.26541627 -1.40937614 2.40444595 1
O O41 1 -0.08784740 2.66659611 2.40444595 1
[/CIF]
| Li6O24V6Zn6 | R3 | 146 | trigonal | 3 | 3,245.077822 | false |
[CIF]
data_Cu2S
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99359000
_cell_length_b 3.99359000
_cell_length_c 11.23716700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu2S
_chemical_formula_sum 'Cu8 S4'
_cell_volume 179.21889179
_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
Cu Cu0 1 1.99542121 0.63980107 3.75909082 1
Cu Cu1 1 0.00137379 2.63659607 4.66878443 1
Cu Cu2 1 1.35699393 3.99221621 0.94979907 1
Cu Cu3 1 1.99816879 3.35378893 9.37767432 1
Cu Cu4 1 3.35378893 1.99816879 1.85949268 1
Cu Cu5 1 3.99221621 1.35699393 10.28736793 1
Cu Cu6 1 2.63659607 0.00137379 6.56838257 1
Cu Cu7 1 0.63980107 1.99542121 7.47807618 1
S S8 1 3.98217233 0.01141767 8.42787525 1
S S9 1 2.00821267 2.00821267 0.00000000 1
S S10 1 1.98537733 1.98537733 5.61858350 1
S S11 1 0.01141767 3.98217233 2.80929175 1
[/CIF]
| Cu8S4 | P4_32_12 | 96 | tetragonal | 422 | 5,898.628511 | false |
[CIF]
data_TeIrBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93831555
_cell_length_b 4.93831555
_cell_length_c 4.93831555
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TeIrBr2
_chemical_formula_sum 'Te1 Ir1 Br2'
_cell_volume 85.15722731
_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 5.23787462 5.23787462 5.23787462 1
Br Br1 1 0.00000000 0.00000000 0.00000000 1
Ir Ir2 1 1.74595821 1.74595820 1.74595821 1
Te Te3 1 3.49191641 3.49191641 3.49191641 1
[/CIF]
| Br2IrTe | F-43m | 216 | cubic | -43m | 9,352.536185 | false |
[CIF]
data_ReNiAgW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40006468
_cell_length_b 4.40006468
_cell_length_c 4.40006468
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReNiAgW
_chemical_formula_sum 'Re1 Ni1 Ag1 W1'
_cell_volume 60.23684025
_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 1.55565779 1.55565779 1.55565779 1
Ni Ni1 1 0.00000000 0.00000000 0.00000000 1
Re Re2 1 4.66697336 4.66697335 4.66697336 1
W W3 1 3.11131557 3.11131557 3.11131557 1
[/CIF]
| AgNiReW | F-43m | 216 | cubic | -43m | 14,792.601008 | false |
[CIF]
data_SrLi2La
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.86414121
_cell_length_b 5.86414121
_cell_length_c 3.85410287
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrLi2La
_chemical_formula_sum 'Sr1 Li2 La1'
_cell_volume 132.53547582
_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 2.93207060 2.93207060 0.00000000 1
Li Li1 1 2.93207060 0.00000000 1.92705144 1
Li Li2 1 0.00000000 2.93207060 1.92705144 1
Sr Sr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| LaLi2Sr | P4/mmm | 123 | tetragonal | 4/mmm | 3,012.068983 | false |
[CIF]
data_SiRhPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79128713
_cell_length_b 4.62726546
_cell_length_c 4.98490492
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiRhPb2
_chemical_formula_sum 'Si1 Rh1 Pb2'
_cell_volume 87.45164253
_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 1.89564357 0.00000000 2.49245246 1
Pb Pb1 1 1.89564357 2.31363273 0.00000000 1
Rh Rh2 1 0.00000000 2.31363273 2.49245246 1
Si Si3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Pb2RhSi | Pmmm | 47 | orthorhombic | mmm | 10,355.929698 | false |
[CIF]
data_HfNbTc2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.21565691
_cell_length_b 3.21565691
_cell_length_c 6.54773499
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfNbTc2
_chemical_formula_sum 'Hf1 Nb1 Tc2'
_cell_volume 67.70652211
_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 1.60782845 1.60782845 3.20868394 1
Nb Nb1 1 0.00000000 0.00000000 5.03075136 1
Tc Tc2 1 1.60782845 1.60782845 0.02877959 1
Tc Tc3 1 0.00000000 0.00000000 1.55338760 1
[/CIF]
| HfNbTc2 | P4mm | 99 | tetragonal | 4mm | 11,507.599052 | false |
[CIF]
data_MgInCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45624108
_cell_length_b 4.45624108
_cell_length_c 3.28161210
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgInCu2
_chemical_formula_sum 'Mg1 In1 Cu2'
_cell_volume 65.16653059
_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 2.22812054 1.64080605 1
Cu Cu1 1 2.22812054 0.00000000 1.64080605 1
In In2 1 2.22812054 2.22812054 0.00000000 1
Mg Mg3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Cu2InMg | P4/mmm | 123 | tetragonal | 4/mmm | 6,783.549832 | false |
[CIF]
data_YbEr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55329077
_cell_length_b 3.55329077
_cell_length_c 5.27259900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YbEr
_chemical_formula_sum 'Yb1 Er1'
_cell_volume 66.57117751
_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
Er Er0 1 0.00000000 0.00000000 0.00000000 1
Yb Yb1 1 1.77664539 1.77664539 2.63629950 1
[/CIF]
| ErYb | P4/mmm | 123 | tetragonal | 4/mmm | 8,488.704158 | false |
[CIF]
data_Sc2VFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38506623
_cell_length_b 5.38506623
_cell_length_c 5.38506623
_cell_angle_alpha 145.78963200
_cell_angle_beta 130.59297137
_cell_angle_gamma 61.46732115
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc2VFe
_chemical_formula_sum 'Sc2 V1 Fe1'
_cell_volume 65.99880181
_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 4.62874545 1
Sc Sc1 1 -0.00000000 2.25054194 1.95572401 1
Sc Sc2 1 1.58389231 -0.00000000 2.67302144 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| FeSc2V | Immm | 71 | orthorhombic | mmm | 4,948.957961 | false |
[CIF]
data_NaBeGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.01671778
_cell_length_b 3.01671778
_cell_length_c 6.79901144
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaBeGe
_chemical_formula_sum 'Na1 Be1 Ge1'
_cell_volume 53.58531261
_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 0.24828848 1
Ge Ge1 1 1.50835889 0.87085141 1.95475733 1
Na Na2 1 -0.00000000 1.74170282 4.59596563 1
[/CIF]
| BeGeNa | P3m1 | 156 | trigonal | 3m | 3,242.717818 | false |
[CIF]
data_SiW2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.90731138
_cell_length_b 2.90731138
_cell_length_c 9.40762160
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 111.69577799
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiW2Br
_chemical_formula_sum 'Si1 W2 Br1'
_cell_volume 73.88450273
_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 1.63214103 0.00000000 5.04135796 1
Si Si1 1 0.00000000 0.00000000 1.92655155 1
W W2 1 1.63214103 0.00000000 9.32477648 1
W W3 1 0.00000000 0.00000000 7.22636801 1
[/CIF]
| BrSiW2 | Cmm2 | 35 | orthorhombic | mm2 | 10,690.57459 | false |
[CIF]
data_Ca2FeSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92930177
_cell_length_b 4.92930177
_cell_length_c 4.92930177
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca2FeSb
_chemical_formula_sum 'Ca2 Fe1 Sb1'
_cell_volume 84.69177242
_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
Ca Ca1 1 1.74277135 1.74277135 1.74277135 1
Fe Fe2 1 3.48554271 3.48554271 3.48554271 1
Sb Sb3 1 5.22831406 5.22831406 5.22831406 1
[/CIF]
| Ca2FeSb | F-43m | 216 | cubic | -43m | 5,053.881837 | false |
[CIF]
data_KSr2La
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.30612779
_cell_length_b 14.30612779
_cell_length_c 14.30612779
_cell_angle_alpha 16.53228969
_cell_angle_beta 16.53228969
_cell_angle_gamma 16.53228969
_symmetry_Int_Tables_number 1
_chemical_formula_structural KSr2La
_chemical_formula_sum 'K1 Sr2 La1'
_cell_volume 206.74439863
_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
La La1 1 -0.00000000 -0.00000000 21.16141457 1
Sr Sr2 1 -0.00000000 -0.00000000 32.05544706 1
Sr Sr3 1 0.00000000 0.00000000 10.26738207 1
[/CIF]
| KLaSr2 | R-3m | 166 | trigonal | -3m | 2,837.199384 | false |
[CIF]
data_Be3CdIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54039278
_cell_length_b 4.54039278
_cell_length_c 4.54039278
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be3CdIn
_chemical_formula_sum 'Be3 Cd1 In1'
_cell_volume 93.60095357
_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 2.27019639 0.00000000 1
Be Be1 1 0.00000000 0.00000000 2.27019639 1
Be Be2 1 2.27019639 0.00000000 0.00000000 1
Cd Cd3 1 0.00000000 0.00000000 0.00000000 1
In In4 1 2.27019639 2.27019639 2.27019639 1
[/CIF]
| Be3CdIn | Pm-3m | 221 | cubic | m-3m | 4,510.82875 | false |
[CIF]
data_LuTl2In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23797975
_cell_length_b 5.23797975
_cell_length_c 5.23797975
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LuTl2In
_chemical_formula_sum 'Lu1 Tl2 In1'
_cell_volume 101.61935808
_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 0.00000000 1
Lu Lu1 1 3.70381100 3.70381100 3.70381100 1
Tl Tl2 1 5.55571650 5.55571650 5.55571650 1
Tl Tl3 1 1.85190550 1.85190550 1.85190550 1
[/CIF]
| InLuTl2 | Fm-3m | 225 | cubic | m-3m | 11,414.871258 | false |
[CIF]
data_KNa4Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11385701
_cell_length_b 6.11385701
_cell_length_c 6.11385701
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KNa4Ir
_chemical_formula_sum 'K1 Na4 Ir1'
_cell_volume 161.59608458
_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 6.48472463 6.48472463 6.48472463 1
K K1 1 0.00000000 0.00000000 0.00000000 1
Na Na2 1 5.37623159 5.37623159 3.27006791 1
Na Na3 1 5.37623159 3.27006791 5.37623159 1
Na Na4 1 3.27006791 5.37623159 5.37623159 1
Na Na5 1 3.27006791 3.27006791 3.27006791 1
[/CIF]
| IrKNa4 | F-43m | 216 | cubic | -43m | 3,321.922891 | false |
[CIF]
data_HfGa2As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.60202015
_cell_length_b 3.60202015
_cell_length_c 5.68234140
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfGa2As
_chemical_formula_sum 'Hf1 Ga2 As1'
_cell_volume 73.72581784
_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 4.13461701 1
Ga Ga1 1 1.80101008 1.80101008 0.09015023 1
Ga Ga2 1 0.00000000 0.00000000 1.35894291 1
Hf Hf3 1 1.80101008 1.80101008 2.93980194 1
[/CIF]
| AsGa2Hf | P4mm | 99 | tetragonal | 4mm | 8,848.400345 | false |
[CIF]
data_SrSn2B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70084494
_cell_length_b 3.86019057
_cell_length_c 6.11409281
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.76387907
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrSn2B
_chemical_formula_sum 'Sr1 Sn2 B1'
_cell_volume 108.20565272
_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 -0.07834340 0.00000000 1.13078095 1
Sn Sn1 1 3.73532765 1.93009528 0.10410592 1
Sn Sn2 1 -0.07870133 0.00000000 5.12604332 1
Sr Sr3 1 1.44677085 1.93009528 2.58357945 1
[/CIF]
| BSn2Sr | Pm | 6 | monoclinic | m | 5,154.016376 | false |
[CIF]
data_TlHgOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11304176
_cell_length_b 5.11304176
_cell_length_c 5.11304176
_cell_angle_alpha 132.40154251
_cell_angle_beta 132.40154251
_cell_angle_gamma 69.59556872
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlHgOs2
_chemical_formula_sum 'Tl1 Hg1 Os2'
_cell_volume 71.49733129
_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 0.00000000 1
Os Os1 1 2.06328098 -0.00000000 2.09934152 1
Os Os2 1 -0.00000000 2.06328098 2.09934152 1
Tl Tl3 1 0.00000000 -0.00000000 4.19868304 1
[/CIF]
| HgOs2Tl | I4/mmm | 139 | tetragonal | 4/mmm | 18,241.837217 | false |
[CIF]
data_InPOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41164776
_cell_length_b 4.41164776
_cell_length_c 4.41164776
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural InPOs
_chemical_formula_sum 'In1 P1 Os1'
_cell_volume 60.71381073
_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 4.67925908 4.67925908 4.67925908 1
Os Os1 1 3.11950605 3.11950605 3.11950605 1
P P2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| InOsP | F-43m | 216 | cubic | -43m | 9,190.285643 | false |
[CIF]
data_LaMoPdRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66689346
_cell_length_b 4.66689346
_cell_length_c 4.66689346
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaMoPdRu
_chemical_formula_sum 'La1 Mo1 Pd1 Ru1'
_cell_volume 71.87347793
_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 4.94998801 4.94998801 4.94998801 1
Mo Mo1 1 -0.00000000 -0.00000000 0.00000000 1
Pd Pd2 1 1.64999600 1.64999600 1.64999600 1
Ru Ru3 1 3.29999201 3.29999201 3.29999201 1
[/CIF]
| LaMoPdRu | F-43m | 216 | cubic | -43m | 10,220.022189 | false |
[CIF]
data_Mg3Tc2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.36994574
_cell_length_b 7.36994574
_cell_length_c 7.36994574
_cell_angle_alpha 158.23667635
_cell_angle_beta 144.22483472
_cell_angle_gamma 42.26512164
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg3Tc2
_chemical_formula_sum 'Mg3 Tc2'
_cell_volume 86.60186266
_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
Mg Mg0 1 -0.00000000 0.00000000 11.03754924 1
Mg Mg1 1 -0.00000000 0.00000000 2.71106685 1
Mg Mg2 1 0.00000000 0.00000000 0.00000000 1
Tc Tc3 1 -0.00000000 -0.00000000 8.05475391 1
Tc Tc4 1 -0.00000000 0.00000000 5.69386218 1
[/CIF]
| Mg3Tc2 | Immm | 71 | orthorhombic | mmm | 5,191.036431 | false |
[CIF]
data_Sr2ScCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.54714484
_cell_length_b 6.54714484
_cell_length_c 6.09778658
_cell_angle_alpha 116.69156863
_cell_angle_beta 116.69156863
_cell_angle_gamma 32.68189311
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2ScCo
_chemical_formula_sum 'Sr2 Sc1 Co1'
_cell_volume 124.72197185
_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 4.45908455 -0.00000000 2.71651843 1
Sc Sc1 1 9.54182238 -0.00000000 1.75913226 1
Sr Sr2 1 -2.73849074 -0.00000000 5.37561247 1
Sr Sr3 1 0.44971017 -0.00000000 3.61992631 1
[/CIF]
| CoScSr2 | Cm | 8 | monoclinic | m | 3,716.304192 | false |
[CIF]
data_Be2ZnP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.69844184
_cell_length_b 3.69844184
_cell_length_c 3.40931537
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be2ZnP
_chemical_formula_sum 'Be2 Zn1 P1'
_cell_volume 46.63422498
_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 1.84922092 0.00000000 1.70465768 1
Be Be1 1 0.00000000 1.84922092 1.70465768 1
P P2 1 0.00000000 0.00000000 0.00000000 1
Zn Zn3 1 1.84922092 1.84922092 0.00000000 1
[/CIF]
| Be2PZn | P4/mmm | 123 | tetragonal | 4/mmm | 4,072.745857 | false |
[CIF]
data_InBIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.10609006
_cell_length_b 7.10609006
_cell_length_c 7.10609006
_cell_angle_alpha 156.48839119
_cell_angle_beta 156.08422922
_cell_angle_gamma 33.78586650
_symmetry_Int_Tables_number 1
_chemical_formula_structural InBIr2
_chemical_formula_sum 'In1 B1 Ir2'
_cell_volume 57.97601620
_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 7.43874846 1
In In1 1 0.00000000 1.47232969 4.15954097 1
Ir Ir2 1 0.00000000 -0.00000000 13.37573240 1
Ir Ir3 1 1.44780142 0.00000000 2.22381109 1
[/CIF]
| BInIr2 | Imm2 | 44 | orthorhombic | mm2 | 14,609.136562 | false |
[CIF]
data_Be2BiB
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36188768
_cell_length_b 4.36188768
_cell_length_c 4.36188768
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be2BiB
_chemical_formula_sum 'Be2 Bi1 B1'
_cell_volume 58.68247708
_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
Be Be1 1 1.54216018 1.54216018 1.54216018 1
Be Be2 1 4.62648054 4.62648054 4.62648054 1
Bi Bi3 1 3.08432036 3.08432036 3.08432036 1
[/CIF]
| BBe2Bi | Fm-3m | 225 | cubic | m-3m | 6,729.476778 | false |
[CIF]
data_ReSiOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11642125
_cell_length_b 4.11642125
_cell_length_c 4.11642125
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReSiOs
_chemical_formula_sum 'Re1 Si1 Os1'
_cell_volume 49.32242675
_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
Os Os0 1 4.36612407 4.36612407 4.36612407 1
Re Re1 1 2.91074938 2.91074938 2.91074938 1
Si Si2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| OsReSi | F-43m | 216 | cubic | -43m | 13,619.066594 | false |
[CIF]
data_ScAgSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.20063497
_cell_length_b 4.55673707
_cell_length_c 6.32115625
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.71108562
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScAgSn2
_chemical_formula_sum 'Sc1 Ag1 Sn2'
_cell_volume 92.18350017
_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 1.56109323 0.00000000 3.16033472 1
Sc Sc1 1 0.00000000 0.00000000 0.00000000 1
Sn Sn2 1 1.63852748 2.27836853 1.50483882 1
Sn Sn3 1 1.48365899 2.27836853 4.81583062 1
[/CIF]
| AgScSn2 | P2/m | 10 | monoclinic | 2/m | 7,029.626693 | false |
[CIF]
data_VSb2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.17004434
_cell_length_b 9.17004434
_cell_length_c 5.50426718
_cell_angle_alpha 93.82584508
_cell_angle_beta 93.82584508
_cell_angle_gamma 29.74457434
_symmetry_Int_Tables_number 1
_chemical_formula_structural VSb2O5
_chemical_formula_sum 'V2 Sb4 O10'
_cell_volume 229.08898468
_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
O O0 1 8.57785365 -2.28592208 4.11835100 1
O O1 1 8.76785184 2.28592208 1.37278367 1
O O2 1 9.96737745 -0.05772373 2.81363742 1
O O3 1 10.15737564 0.05772373 0.06807008 1
O O4 1 12.24476917 -0.45413595 4.66318550 1
O O5 1 12.43476736 0.45413595 1.91761817 1
O O6 1 4.91093813 -0.45413595 3.57351650 1
O O7 1 5.10093632 0.45413595 0.82794917 1
O O8 1 7.18832985 -0.05772373 5.42306459 1
O O9 1 7.37832804 0.05772373 2.67749725 1
Sb Sb10 1 11.48392573 1.09391736 3.61080493 1
Sb Sb11 1 11.67392392 -1.09391736 0.86523760 1
Sb Sb12 1 5.67178157 1.09391736 4.62589707 1
Sb Sb13 1 5.86177977 -1.09391736 1.88032974 1
V V14 1 8.57785365 -0.64267139 4.11835100 1
V V15 1 8.76785184 0.64267139 1.37278367 1
[/CIF]
| O10Sb4V2 | C2/c | 15 | monoclinic | 2/m | 5,428.484211 | false |
[CIF]
data_LaZnCrRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63825601
_cell_length_b 4.63825601
_cell_length_c 4.63825601
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaZnCrRu
_chemical_formula_sum 'La1 Zn1 Cr1 Ru1'
_cell_volume 70.55846938
_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
La La1 1 4.91961342 4.91961342 4.91961342 1
Ru Ru2 1 1.63987114 1.63987114 1.63987114 1
Zn Zn3 1 3.27974228 3.27974228 3.27974228 1
[/CIF]
| CrLaRuZn | F-43m | 216 | cubic | -43m | 8,409.993127 | false |
[CIF]
data_Ta2GaHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66604702
_cell_length_b 4.66604702
_cell_length_c 4.66604702
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta2GaHg
_chemical_formula_sum 'Ta2 Ga1 Hg1'
_cell_volume 71.83437792
_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
Hg Hg1 1 3.29939349 3.29939349 3.29939349 1
Ta Ta2 1 1.64969674 1.64969675 1.64969675 1
Ta Ta3 1 4.94909023 4.94909023 4.94909023 1
[/CIF]
| GaHgTa2 | Fm-3m | 225 | cubic | m-3m | 14,614.274873 | false |
[CIF]
data_MnCd2Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53342912
_cell_length_b 4.53342912
_cell_length_c 4.53342912
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnCd2Co
_chemical_formula_sum 'Mn1 Cd2 Co1'
_cell_volume 65.88180524
_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 4.80842771 4.80842770 4.80842770 1
Cd Cd1 1 3.20561847 3.20561847 3.20561847 1
Co Co2 1 1.60280923 1.60280924 1.60280924 1
Mn Mn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Cd2CoMn | F-43m | 216 | cubic | -43m | 8,536.702274 | false |
[CIF]
data_VCrAgTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67713647
_cell_length_b 4.67713647
_cell_length_c 4.67713647
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VCrAgTe
_chemical_formula_sum 'V1 Cr1 Ag1 Te1'
_cell_volume 72.34776651
_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
Cr Cr1 1 3.30723492 3.30723492 3.30723492 1
Ag Ag2 1 1.65361746 1.65361746 1.65361746 1
Te Te3 1 4.96085237 4.96085237 4.96085237 1
[/CIF]
| AgCrTeV | F-43m | 216 | cubic | -43m | 7,767.151335 | false |
[CIF]
data_BaHf2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63447121
_cell_length_b 3.63447121
_cell_length_c 8.23354908
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaHf2Ge
_chemical_formula_sum 'Ba1 Hf2 Ge1'
_cell_volume 108.76008629
_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 1.81723560 1.81723560 4.39801512 1
Ge Ge1 1 0.00000000 0.00000000 6.81720318 1
Hf Hf2 1 1.81723560 1.81723560 7.95999131 1
Hf Hf3 1 0.00000000 0.00000000 1.40866309 1
[/CIF]
| BaGeHf2 | P4mm | 99 | tetragonal | 4mm | 8,656.121355 | false |
[CIF]
data_SrScRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45061184
_cell_length_b 4.39585078
_cell_length_c 5.12902623
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrScRu2
_chemical_formula_sum 'Sr1 Sc1 Ru2'
_cell_volume 77.79899195
_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 1.72530592 2.19792539 0.00000000 1
Ru Ru1 1 0.00000000 2.19792539 2.56451312 1
Sc Sc2 1 0.00000000 0.00000000 0.00000000 1
Sr Sr3 1 1.72530592 0.00000000 2.56451312 1
[/CIF]
| Ru2ScSr | Pmmm | 47 | orthorhombic | mmm | 7,144.165164 | false |
[CIF]
data_Na4ScMn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11697730
_cell_length_b 6.11697730
_cell_length_c 6.11697730
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na4ScMn
_chemical_formula_sum 'Na4 Sc1 Mn1'
_cell_volume 161.84362935
_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 2.16267807 2.16267806 2.16267807 1
Na Na1 1 3.24818193 3.24818193 5.40253033 1
Na Na2 1 3.24818193 5.40253033 3.24818193 1
Na Na3 1 5.40253033 3.24818193 3.24818193 1
Na Na4 1 5.40253033 5.40253033 5.40253033 1
Sc Sc5 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| MnNa4Sc | F-43m | 216 | cubic | -43m | 1,968.439904 | false |
[CIF]
data_TaMn2In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43993018
_cell_length_b 4.43993018
_cell_length_c 4.43993018
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaMn2In
_chemical_formula_sum 'Ta1 Mn2 In1'
_cell_volume 61.88899393
_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 0.00000000 1
Mn Mn1 1 4.70925710 4.70925710 4.70925710 1
Mn Mn2 1 1.56975237 1.56975237 1.56975237 1
Ta Ta3 1 3.13950474 3.13950474 3.13950474 1
[/CIF]
| InMn2Ta | Fm-3m | 225 | cubic | m-3m | 10,883.750009 | false |
[CIF]
data_TaVCuRe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38327106
_cell_length_b 4.38327106
_cell_length_c 4.38327106
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaVCuRe
_chemical_formula_sum 'Ta1 V1 Cu1 Re1'
_cell_volume 59.54975600
_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 1.54972035 1.54972035 1.54972035 1
Re Re1 1 4.64916104 4.64916104 4.64916104 1
Ta Ta2 1 3.09944069 3.09944069 3.09944069 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CuReTaV | F-43m | 216 | cubic | -43m | 13,430.550212 | false |
[CIF]
data_HfZrO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10519496
_cell_length_b 4.10519496
_cell_length_c 4.10519496
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfZrO3
_chemical_formula_sum 'Hf1 Zr1 O3'
_cell_volume 69.18331372
_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 2.05259748 2.05259748 2.05259748 1
O O1 1 0.00000000 0.00000000 2.05259748 1
O O2 1 2.05259748 0.00000000 0.00000000 1
O O3 1 0.00000000 2.05259748 0.00000000 1
Zr Zr4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| HfO3Zr | Pm-3m | 221 | cubic | m-3m | 7,625.733601 | false |
[CIF]
data_Al2TlRe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.17764789
_cell_length_b 3.17764789
_cell_length_c 7.67569879
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al2TlRe
_chemical_formula_sum 'Al2 Tl1 Re1'
_cell_volume 77.50495491
_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 1.58882394 1.58882394 6.33510729 1
Al Al1 1 1.58882394 1.58882394 1.34059150 1
Re Re2 1 0.00000000 0.00000000 0.00000000 1
Tl Tl3 1 0.00000000 0.00000000 3.83784940 1
[/CIF]
| Al2ReTl | P4/mmm | 123 | tetragonal | 4/mmm | 9,524.529766 | false |
[CIF]
data_ScSnRhW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65820685
_cell_length_b 4.65820685
_cell_length_c 4.65820685
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScSnRhW
_chemical_formula_sum 'Sc1 Sn1 Rh1 W1'
_cell_volume 71.47288464
_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
Rh Rh0 1 3.29384965 3.29384965 3.29384965 1
Sc Sc1 1 0.00000000 0.00000000 0.00000000 1
Sn Sn2 1 1.64692482 1.64692482 1.64692482 1
W W3 1 4.94077447 4.94077447 4.94077447 1
[/CIF]
| RhScSnW | F-43m | 216 | cubic | -43m | 10,464.468441 | false |
[CIF]
data_La2FeTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97969427
_cell_length_b 4.97969427
_cell_length_c 4.97969427
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2FeTc
_chemical_formula_sum 'La2 Fe1 Tc1'
_cell_volume 87.31584088
_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
La La1 1 1.76058779 1.76058779 1.76058779 1
La La2 1 5.28176338 5.28176338 5.28176338 1
Tc Tc3 1 3.52117558 3.52117558 3.52117558 1
[/CIF]
| FeLa2Tc | Fm-3m | 225 | cubic | m-3m | 8,226.306435 | false |
[CIF]
data_YHfCrAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76783069
_cell_length_b 4.76783069
_cell_length_c 4.76783069
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YHfCrAu
_chemical_formula_sum 'Y1 Hf1 Cr1 Au1'
_cell_volume 76.63858465
_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 1.68568271 1.68568271 1.68568270 1
Cr Cr1 1 0.00000000 0.00000000 0.00000000 1
Hf Hf2 1 5.05704812 5.05704812 5.05704812 1
Y Y3 1 3.37136541 3.37136541 3.37136541 1
[/CIF]
| AuCrHfY | F-43m | 216 | cubic | -43m | 11,188.013154 | false |
[CIF]
data_Be3PdPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.18237218
_cell_length_b 4.18237218
_cell_length_c 4.18237218
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be3PdPt
_chemical_formula_sum 'Be3 Pd1 Pt1'
_cell_volume 73.15904561
_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 2.09118609 0.00000000 2.09118609 1
Be Be1 1 2.09118609 2.09118609 0.00000000 1
Be Be2 1 0.00000000 2.09118609 2.09118609 1
Pd Pd3 1 0.00000000 0.00000000 0.00000000 1
Pt Pt4 1 2.09118609 2.09118609 2.09118609 1
[/CIF]
| Be3PdPt | Pm-3m | 221 | cubic | m-3m | 7,457.101265 | false |
[CIF]
data_NbCr2Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27692035
_cell_length_b 4.27692035
_cell_length_c 4.27692035
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbCr2Os
_chemical_formula_sum 'Nb1 Cr2 Os1'
_cell_volume 55.31953086
_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 4.53635907 4.53635907 4.53635907 1
Cr Cr1 1 1.51211969 1.51211969 1.51211969 1
Nb Nb2 1 0.00000000 0.00000000 0.00000000 1
Os Os3 1 3.02423938 3.02423938 3.02423938 1
[/CIF]
| Cr2NbOs | Fm-3m | 225 | cubic | m-3m | 11,620.527523 | false |
[CIF]
data_Ti2TlHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79902135
_cell_length_b 4.79902135
_cell_length_c 3.40164029
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2TlHg
_chemical_formula_sum 'Ti2 Tl1 Hg1'
_cell_volume 78.34183699
_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 0.00000000 1
Ti Ti1 1 0.00000000 2.39951068 1.70082015 1
Ti Ti2 1 2.39951068 0.00000000 1.70082015 1
Tl Tl3 1 2.39951068 2.39951068 0.00000000 1
[/CIF]
| HgTi2Tl | P4/mmm | 123 | tetragonal | 4/mmm | 10,613.027017 | false |
[CIF]
data_TlCoBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35482699
_cell_length_b 4.35482699
_cell_length_c 4.03500104
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlCoBr
_chemical_formula_sum 'Tl1 Co1 Br1'
_cell_volume 66.26986617
_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 -0.00000002 2.51426054 0.36599267 1
Co Co1 1 0.00000000 0.00000000 1.16904035 1
Tl Tl2 1 2.17741347 1.25713028 2.49996802 1
[/CIF]
| BrCoTl | P3m1 | 156 | trigonal | 3m | 8,600.153792 | false |
[CIF]
data_CrRe2Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75485541
_cell_length_b 4.75485541
_cell_length_c 2.74851170
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 109.44950060
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrRe2Mo
_chemical_formula_sum 'Cr1 Re2 Mo1'
_cell_volume 58.59413285
_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
Mo Mo1 1 2.74595287 0.00000000 0.00000000 1
Re Re2 1 1.37297644 -1.94090139 1.37425585 1
Re Re3 1 1.37297644 1.94090139 1.37425585 1
[/CIF]
| CrMoRe2 | Cmmm | 65 | orthorhombic | mmm | 14,747.122931 | false |
[CIF]
data_Li2CuBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.73631661
_cell_length_b 4.73631661
_cell_length_c 4.73631661
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2CuBr
_chemical_formula_sum 'Li2 Cu1 Br1'
_cell_volume 75.12892581
_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 5.02362239 5.02362239 5.02362238 1
Cu Cu1 1 3.34908159 3.34908159 3.34908159 1
Li Li2 1 1.67454079 1.67454079 1.67454079 1
Li Li3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BrCuLi2 | F-43m | 216 | cubic | -43m | 3,477.434684 | false |
[CIF]
data_BRu2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.03658721
_cell_length_b 4.13352464
_cell_length_c 4.64639676
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BRu2Se
_chemical_formula_sum 'B1 Ru2 Se1'
_cell_volume 58.32068027
_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 0.50435615 1
Ru Ru1 1 0.00000000 2.06676232 0.34456047 1
Ru Ru2 1 1.51829360 0.00000000 3.75987448 1
Se Se3 1 1.51829360 2.06676232 2.36080404 1
[/CIF]
| BRu2Se | Pmm2 | 25 | orthorhombic | mm2 | 8,311.468215 | false |
[CIF]
data_Mg2FeBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93322077
_cell_length_b 4.93322077
_cell_length_c 4.93322077
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg2FeBr
_chemical_formula_sum 'Mg2 Fe1 Br1'
_cell_volume 84.89393340
_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 1.74415693 1.74415693 1.74415693 1
Fe Fe1 1 3.48831386 3.48831386 3.48831386 1
Mg Mg2 1 5.23247079 5.23247079 5.23247079 1
Mg Mg3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BrFeMg2 | F-43m | 216 | cubic | -43m | 3,606.091855 | false |
[CIF]
data_TiSnPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.32135536
_cell_length_b 5.32135536
_cell_length_c 5.32135536
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiSnPb2
_chemical_formula_sum 'Ti1 Sn1 Pb2'
_cell_volume 106.54959133
_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 1.88138323 1.88138323 1.88138323 1
Pb Pb1 1 3.76276646 3.76276646 3.76276646 1
Sn Sn2 1 5.64414969 5.64414969 5.64414969 1
Ti Ti3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Pb2SnTi | F-43m | 216 | cubic | -43m | 9,054.328536 | false |
[CIF]
data_BePdPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16176328
_cell_length_b 5.16176328
_cell_length_c 5.16176328
_cell_angle_alpha 148.78434690
_cell_angle_beta 128.24664880
_cell_angle_gamma 61.68812273
_symmetry_Int_Tables_number 1
_chemical_formula_structural BePdPt2
_chemical_formula_sum 'Be1 Pd1 Pt2'
_cell_volume 55.46042828
_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
Pd Pd1 1 0.00000000 0.00000000 4.43171380 1
Pt Pt2 1 -0.00000000 2.25277701 2.58122033 1
Pt Pt3 1 1.38877956 0.00000000 1.85049347 1
[/CIF]
| BePdPt2 | Immm | 71 | orthorhombic | mmm | 15,138.169685 | false |
[CIF]
data_CoRe4Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11208868
_cell_length_b 5.11208868
_cell_length_c 5.11208868
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CoRe4Pt
_chemical_formula_sum 'Co1 Re4 Pt1'
_cell_volume 94.46700323
_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
Pt Pt1 1 1.80739629 1.80739629 1.80739629 1
Re Re2 1 2.71005910 2.71005910 4.51952604 1
Re Re3 1 2.71005910 4.51952604 2.71005910 1
Re Re4 1 4.51952604 2.71005910 2.71005910 1
Re Re5 1 4.51952604 4.51952604 4.51952604 1
[/CIF]
| CoPtRe4 | F-43m | 216 | cubic | -43m | 17,557.680577 | false |
[CIF]
data_VFeBiW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50252139
_cell_length_b 4.50252139
_cell_length_c 4.50252139
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VFeBiW
_chemical_formula_sum 'V1 Fe1 Bi1 W1'
_cell_volume 64.54347699
_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 4.77564512 4.77564511 4.77564511 1
Fe Fe1 1 1.59188171 1.59188171 1.59188171 1
V V2 1 0.00000000 0.00000000 0.00000000 1
W W3 1 3.18376341 3.18376341 3.18376341 1
[/CIF]
| BiFeVW | F-43m | 216 | cubic | -43m | 12,853.611459 | false |
[CIF]
data_BePW2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81185646
_cell_length_b 4.81185646
_cell_length_c 4.81185646
_cell_angle_alpha 141.01517549
_cell_angle_beta 129.80960752
_cell_angle_gamma 65.31992328
_symmetry_Int_Tables_number 1
_chemical_formula_structural BePW2
_chemical_formula_sum 'Be1 P1 W2'
_cell_volume 53.09791810
_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 3.93923236 1
P P1 1 1.60562999 -0.00000000 2.08886990 1
W W2 1 0.00000000 0.00000000 0.09863727 1
W W3 1 0.00000000 2.04082139 1.97534991 1
[/CIF]
| BePW2 | Imm2 | 44 | orthorhombic | mm2 | 12,748.997519 | false |
[CIF]
data_La3TlBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10592861
_cell_length_b 6.10592861
_cell_length_c 6.10592861
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural La3TlBr
_chemical_formula_sum 'La3 Tl1 Br1'
_cell_volume 227.64345416
_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 3.05296431 3.05296431 3.05296431 1
Br Br1 1 0.00000000 0.00000000 0.00000000 1
La La2 1 3.05296431 0.00000000 3.05296431 1
La La3 1 3.05296431 3.05296431 0.00000000 1
La La4 1 0.00000000 3.05296431 3.05296431 1
[/CIF]
| BrLa3Tl | Pm-3m | 221 | cubic | m-3m | 5,113.452748 | false |
[CIF]
data_HfVBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72239835
_cell_length_b 4.72239835
_cell_length_c 4.72239835
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfVBr2
_chemical_formula_sum 'Hf1 V1 Br2'
_cell_volume 74.46854335
_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 5.00885985 5.00885985 5.00885985 1
Br Br1 1 1.66961995 1.66961995 1.66961995 1
Hf Hf2 1 3.33923990 3.33923990 3.33923990 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Br2HfV | Fm-3m | 225 | cubic | m-3m | 8,679.468766 | false |
[CIF]
data_MgW2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27727532
_cell_length_b 5.27727532
_cell_length_c 4.53274839
_cell_angle_alpha 102.36664546
_cell_angle_beta 102.36664546
_cell_angle_gamma 33.34870909
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgW2Au
_chemical_formula_sum 'Mg1 W2 Au1'
_cell_volume 67.63926442
_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 4.54868365 0.00000000 2.20900874 1
Mg Mg1 1 0.00000000 0.00000000 0.00000000 1
W W2 1 1.70831470 0.00000000 3.30172107 1
W W3 1 7.38905260 -0.00000000 1.11629641 1
[/CIF]
| AuMgW2 | C2/m | 12 | monoclinic | 2/m | 14,458.718572 | false |
[CIF]
data_NbMo4Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19539404
_cell_length_b 5.19539404
_cell_length_c 5.19539404
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbMo4Os
_chemical_formula_sum 'Nb1 Mo4 Os1'
_cell_volume 99.16090433
_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 4.60128626 2.74611046 4.60128626 1
Mo Mo1 1 2.74611046 4.60128626 4.60128626 1
Mo Mo2 1 2.74611046 2.74611046 2.74611046 1
Mo Mo3 1 4.60128626 4.60128626 2.74611046 1
Nb Nb4 1 0.00000000 0.00000000 0.00000000 1
Os Os5 1 5.51054754 5.51054754 5.51054754 1
[/CIF]
| Mo4NbOs | F-43m | 216 | cubic | -43m | 11,169.122982 | false |
[CIF]
data_FeAgHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58298646
_cell_length_b 4.58298646
_cell_length_c 2.88881042
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeAgHg
_chemical_formula_sum 'Fe1 Ag1 Hg1'
_cell_volume 52.54686637
_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 -0.00000002 2.64598848 0.05379540 1
Fe Fe1 1 0.00000000 0.00000000 0.99557383 1
Hg Hg2 1 2.29149321 1.32299425 1.83944120 1
[/CIF]
| AgFeHg | P3m1 | 156 | trigonal | 3m | 11,512.383849 | false |
[CIF]
data_Ga2AgP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55344272
_cell_length_b 3.55344272
_cell_length_c 6.16522779
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ga2AgP
_chemical_formula_sum 'Ga2 Ag1 P1'
_cell_volume 77.84805466
_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 1.77672136 1.77672136 5.14840146 1
Ga Ga1 1 0.00000000 0.00000000 5.96494722 1
Ga Ga2 1 1.77672136 1.77672136 2.08534767 1
P P3 1 0.00000000 0.00000000 2.21437307 1
[/CIF]
| AgGa2P | P4mm | 99 | tetragonal | 4mm | 5,936.123573 | false |
[CIF]
data_SrZnIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31709315
_cell_length_b 5.31709315
_cell_length_c 5.31709315
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrZnIn
_chemical_formula_sum 'Sr1 Zn1 In1'
_cell_volume 106.29376922
_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 3.75975262 3.75975262 3.75975262 1
Sr Sr1 1 1.87987631 1.87987631 1.87987631 1
Zn Zn2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| InSrZn | F-43m | 216 | cubic | -43m | 4,183.897654 | false |
[CIF]
data_Be2TcB
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.86360785
_cell_length_b 2.86360785
_cell_length_c 4.61705646
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be2TcB
_chemical_formula_sum 'Be2 Tc1 B1'
_cell_volume 37.86101681
_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 3.40166598 1
Be Be1 1 1.43180392 1.43180392 0.03041329 1
Be Be2 1 0.00000000 0.00000000 1.08502752 1
Tc Tc3 1 1.43180392 1.43180392 2.40847785 1
[/CIF]
| BBe2Tc | P4mm | 99 | tetragonal | 4mm | 5,602.599513 | false |
[CIF]
data_Sc2ZnOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.37035050
_cell_length_b 9.37035050
_cell_length_c 9.37035050
_cell_angle_alpha 18.99073614
_cell_angle_beta 18.99073614
_cell_angle_gamma 18.99073614
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc2ZnOs
_chemical_formula_sum 'Sc2 Zn1 Os1'
_cell_volume 76.14317605
_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
Os Os0 1 -0.00000000 -0.00000000 20.77132721 1
Sc Sc1 1 -0.00000000 0.00000000 0.39735530 1
Sc Sc2 1 -0.00000000 0.00000000 6.67551140 1
Zn Zn3 1 -0.00000000 -0.00000000 13.55028923 1
[/CIF]
| OsSc2Zn | R3m | 160 | trigonal | 3m | 7,535.179348 | false |
[CIF]
data_NbSiSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62783236
_cell_length_b 4.62783236
_cell_length_c 4.62783236
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbSiSe2
_chemical_formula_sum 'Nb1 Si1 Se2'
_cell_volume 70.08383481
_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 3.27237164 3.27237164 3.27237164 1
Se Se1 1 4.90855746 4.90855746 4.90855746 1
Se Se2 1 1.63618582 1.63618582 1.63618582 1
Si Si3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| NbSe2Si | Fm-3m | 225 | cubic | m-3m | 6,608.429389 | false |
[CIF]
data_TlCoSnBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18720564
_cell_length_b 5.18720564
_cell_length_c 5.18720564
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlCoSnBi
_chemical_formula_sum 'Tl1 Co1 Sn1 Bi1'
_cell_volume 98.69278332
_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 3.66790828 3.66790828 3.66790828 1
Co Co1 1 0.00000000 0.00000000 0.00000000 1
Sn Sn2 1 5.50186242 5.50186242 5.50186242 1
Tl Tl3 1 1.83395414 1.83395414 1.83395414 1
[/CIF]
| BiCoSnTl | F-43m | 216 | cubic | -43m | 9,943.888547 | false |
[CIF]
data_Tc2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.17505533
_cell_length_b 8.17505533
_cell_length_c 8.17505533
_cell_angle_alpha 154.51934603
_cell_angle_beta 154.51934603
_cell_angle_gamma 36.34518137
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tc2Pt
_chemical_formula_sum 'Tc4 Pt2'
_cell_volume 100.98513146
_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
Pt Pt0 1 -0.00000000 1.80286759 3.88364734 1
Pt Pt1 1 0.00000000 0.00000000 0.00000000 1
Tc Tc2 1 1.80286759 -0.00000000 2.65141202 1
Tc Tc3 1 1.80286759 -0.00000000 5.11588266 1
Tc Tc4 1 0.00000000 0.00000000 6.53505936 1
Tc Tc5 1 -0.00000000 0.00000000 8.99953000 1
[/CIF]
| Pt4Tc8 | I4_1/amd | 141 | tetragonal | 4/mmm | 12,921.752617 | false |
[CIF]
data_Mg2TaTi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.99306749
_cell_length_b 4.08589870
_cell_length_c 6.34674089
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg2TaTi
_chemical_formula_sum 'Mg2 Ta1 Ti1'
_cell_volume 77.61664623
_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
Mg Mg0 1 1.49653375 2.04294935 6.33085697 1
Mg Mg1 1 0.00000000 0.00000000 1.61679207 1
Ta Ta2 1 1.49653375 2.04294935 3.32397651 1
Ti Ti3 1 0.00000000 0.00000000 4.59522662 1
[/CIF]
| Mg2TaTi | Pmm2 | 25 | orthorhombic | mm2 | 5,935.258397 | false |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.