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_CaMo4As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38782181
_cell_length_b 5.38782181
_cell_length_c 5.38782181
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaMo4As
_chemical_formula_sum 'Ca1 Mo4 As1'
_cell_volume 110.59224517
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 5.71464801 5.71464801 5.71464801 1
Ca Ca1 1 0.00000000 0.00000000 0.00000000 1
Mo Mo2 1 4.75501137 4.75501137 2.86451931 1
Mo Mo3 1 4.75501137 2.86451931 4.75501137 1
Mo Mo4 1 2.86451931 4.75501137 4.75501137 1
Mo Mo5 1 2.86451931 2.86451931 2.86451931 1
[/CIF]
| AsCaMo4 | F-43m | 216 | cubic | -43m | 7,490.060831 | false |
[CIF]
data_TlAgPdAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74091294
_cell_length_b 4.74091294
_cell_length_c 4.74091294
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlAgPdAu
_chemical_formula_sum 'Tl1 Ag1 Pd1 Au1'
_cell_volume 75.34786365
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 3.35233169 3.35233169 3.35233169 1
Au Au1 1 1.67616585 1.67616585 1.67616585 1
Pd Pd2 1 0.00000000 0.00000000 0.00000000 1
Tl Tl3 1 5.02849754 5.02849754 5.02849754 1
[/CIF]
| AgAuPdTl | F-43m | 216 | cubic | -43m | 13,567.618442 | false |
[CIF]
data_LaFeBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02724407
_cell_length_b 5.02724407
_cell_length_c 5.02724407
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaFeBr
_chemical_formula_sum 'La1 Fe1 Br1'
_cell_volume 89.84106939
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 3.55479837 3.55479837 3.55479837 1
Fe Fe1 1 0.00000000 -0.00000000 0.00000000 1
La La2 1 1.77739919 1.77739919 1.77739919 1
[/CIF]
| BrFeLa | F-43m | 216 | cubic | -43m | 5,076.458688 | false |
[CIF]
data_HfSiOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40361687
_cell_length_b 4.40361687
_cell_length_c 4.40361687
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfSiOs2
_chemical_formula_sum 'Hf1 Si1 Os2'
_cell_volume 60.38284653
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 3.11382735 3.11382735 3.11382735 1
Os Os1 1 4.67074103 4.67074103 4.67074103 1
Os Os2 1 1.55691368 1.55691368 1.55691367 1
Si Si3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| HfOs2Si | Fm-3m | 225 | cubic | m-3m | 16,143.581121 | false |
[CIF]
data_P3Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48402856
_cell_length_b 4.48402856
_cell_length_c 4.48402856
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P3Au
_chemical_formula_sum 'P3 Au1'
_cell_volume 63.75145654
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 3.17068700 3.17068700 3.17068700 1
P P1 1 4.75603050 4.75603050 4.75603050 1
P P2 1 1.58534350 1.58534350 1.58534350 1
P P3 1 -0.00000000 -0.00000000 0.00000000 1
[/CIF]
| AuP3 | Fm-3m | 225 | cubic | m-3m | 7,550.73114 | false |
[CIF]
data_CeTc2Te
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79810074
_cell_length_b 4.79810074
_cell_length_c 4.79810074
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeTc2Te
_chemical_formula_sum 'Ce1 Tc2 Te1'
_cell_volume 78.10756291
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ce Ce0 1 3.39276957 3.39276957 3.39276957 1
Tc Tc1 1 1.69638478 1.69638478 1.69638478 1
Tc Tc2 1 5.08915435 5.08915435 5.08915435 1
Te Te3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CeTc2Te | Fm-3m | 225 | cubic | m-3m | 9,896.968566 | false |
[CIF]
data_Mn2BeAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67932159
_cell_length_b 4.67932159
_cell_length_c 4.67932159
_cell_angle_alpha 132.32103507
_cell_angle_beta 132.32103507
_cell_angle_gamma 69.72245706
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn2BeAu
_chemical_formula_sum 'Mn2 Be1 Au1'
_cell_volume 54.93488449
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 0.00000000 -0.00000000 3.83956517 1
Be Be1 1 0.00000000 0.00000000 -0.00000000 1
Mn Mn2 1 1.89126807 0.00000000 1.91978258 1
Mn Mn3 1 0.00000000 1.89126807 1.91978258 1
[/CIF]
| AuBeMn2 | I4/mmm | 139 | tetragonal | 4/mmm | 9,547.47257 | false |
[CIF]
data_Er2NiSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05063322
_cell_length_b 5.05063322
_cell_length_c 5.05063322
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er2NiSn
_chemical_formula_sum 'Er2 Ni1 Sn1'
_cell_volume 91.10086388
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 5.35700550 5.35700550 5.35700550 1
Er Er1 1 1.78566850 1.78566850 1.78566850 1
Ni Ni2 1 -0.00000000 0.00000000 0.00000000 1
Sn Sn3 1 3.57133700 3.57133700 3.57133700 1
[/CIF]
| Er2NiSn | Fm-3m | 225 | cubic | m-3m | 9,331.036474 | false |
[CIF]
data_Tm2HfOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88462819
_cell_length_b 4.88462819
_cell_length_c 4.88462819
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm2HfOs
_chemical_formula_sum 'Tm2 Hf1 Os1'
_cell_volume 82.40992862
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Os Os1 1 3.45395372 3.45395372 3.45395372 1
Tm Tm2 1 5.18093058 5.18093058 5.18093058 1
Tm Tm3 1 1.72697686 1.72697686 1.72697686 1
[/CIF]
| HfOsTm2 | Fm-3m | 225 | cubic | m-3m | 14,237.57665 | false |
[CIF]
data_Te2PBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.71937891
_cell_length_b 4.32655514
_cell_length_c 7.82134556
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Te2PBr
_chemical_formula_sum 'Te2 P1 Br1'
_cell_volume 125.86185878
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.85968946 2.16327757 4.26860235 1
P P1 1 0.00000000 0.00000000 6.91713294 1
Te Te2 1 1.85968946 2.16327757 6.84900487 1
Te Te3 1 0.00000000 0.00000000 1.51862374 1
[/CIF]
| BrPTe2 | Pmm2 | 25 | orthorhombic | mm2 | 4,829.790622 | false |
[CIF]
data_Sc3IrRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83680952
_cell_length_b 4.83680952
_cell_length_c 4.83680952
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc3IrRh
_chemical_formula_sum 'Sc3 Ir1 Rh1'
_cell_volume 113.15583504
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc Sc0 1 0.00000000 2.41840476 0.00000000 1
Sc Sc1 1 0.00000000 0.00000000 2.41840476 1
Sc Sc2 1 2.41840476 0.00000000 0.00000000 1
Ir Ir3 1 2.41840476 2.41840476 2.41840476 1
Rh Rh4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| IrRhSc3 | Pm-3m | 221 | cubic | m-3m | 6,310.020026 | false |
[CIF]
data_Nd2Ti2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.70291400
_cell_length_b 5.52429400
_cell_length_c 13.29079287
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.43488800
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd2Ti2O7
_chemical_formula_sum 'Nd8 Ti8 O28'
_cell_volume 559.44764950
_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
Nd Nd0 1 1.90867950 1.39976771 1.12296663 1
Nd Nd1 1 3.84466950 4.16191471 12.02406237 1
Nd Nd2 1 5.78371496 1.32562064 1.62969257 1
Nd Nd3 1 -0.03036596 4.08776764 11.51733643 1
Nd Nd4 1 1.89401583 4.72315536 5.66212301 1
Nd Nd5 1 3.85933317 1.96100836 7.48490599 1
Nd Nd6 1 5.81039192 4.32204742 5.02330887 1
Nd Nd7 1 -0.05704292 1.55990042 8.12372013 1
Ti Ti8 1 -0.02089344 4.17534979 1.63104671 1
Ti Ti9 1 5.77424244 1.41320279 11.51598229 1
Ti Ti10 1 3.85930502 4.18566365 1.59389321 1
Ti Ti11 1 1.89404398 1.42351665 11.55313579 1
Ti Ti12 1 0.02370188 1.62079471 4.28677286 1
Ti Ti13 1 5.72964712 4.38294171 8.86025614 1
Ti Ti14 1 3.76823961 1.57005407 4.21079618 1
Ti Ti15 1 1.98510939 4.33220107 8.93623282 1
O O16 1 1.58281468 2.83537152 12.86210659 1
O O17 1 4.17053432 0.07322452 0.28492241 1
O O18 1 -1.63176840 2.82910144 12.83615435 1
O O19 1 7.38511740 0.06695444 0.31087465 1
O O20 1 1.92306289 4.48680949 1.46490771 1
O O21 1 3.83028611 1.72466249 11.68212129 1
O O22 1 5.77365539 3.64331056 1.21521933 1
O O23 1 -0.02030639 0.88116356 11.93180967 1
O O24 1 0.18495297 2.38741757 2.37374867 1
O O25 1 5.56839603 5.14956457 10.77328033 1
O O26 1 3.64948774 2.40454840 2.39554645 1
O O27 1 2.10386126 5.16669540 10.75148255 1
O O28 1 7.21002134 5.22194939 3.04756020 1
O O29 1 -1.45667234 2.45980239 10.09946880 1
O O30 1 4.32265990 5.24138386 3.00995970 1
O O31 1 1.43068910 2.47923686 10.13706930 1
O O32 1 1.91511299 1.03911418 4.04616909 1
O O33 1 3.83823601 3.80126118 9.10085991 1
O O34 1 5.77916203 1.94312622 4.02509440 1
O O35 1 -0.02581303 4.70527322 9.12193460 1
O O36 1 0.23334223 3.19346178 5.08669070 1
O O37 1 1.72456037 3.13363920 7.51609074 1
O O38 1 5.52000677 0.43131478 8.06033830 1
O O39 1 2.10203336 0.29001991 7.81701309 1
O O40 1 -0.16885893 0.46937716 5.80535989 1
O O41 1 5.92220793 3.23152416 7.34166911 1
O O42 1 4.02878863 0.37149220 5.63093826 1
O O43 1 3.65131564 3.05216691 5.33001591 1
[/CIF]
| Nd8O28Ti8 | P2_1 | 4 | monoclinic | 2 | 5,891.399497 | false |
[CIF]
data_K2BaMg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44553261
_cell_length_b 4.44553261
_cell_length_c 11.32789655
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2BaMg
_chemical_formula_sum 'K2 Ba1 Mg1'
_cell_volume 223.87050246
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 2.22276630 2.22276630 7.77552732 1
K K1 1 0.00000000 0.00000000 11.27835887 1
K K2 1 2.22276630 2.22276630 3.48168644 1
Mg Mg3 1 0.00000000 0.00000000 5.78416875 1
[/CIF]
| BaK2Mg | P4mm | 99 | tetragonal | 4mm | 1,778.987902 | false |
[CIF]
data_TiBi2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25866724
_cell_length_b 3.25866724
_cell_length_c 8.90023936
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 112.00507224
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiBi2W
_chemical_formula_sum 'Ti1 Bi2 W1'
_cell_volume 87.62580875
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.82210401 0.00000000 6.66650410 1
Bi Bi1 1 1.82210401 0.00000000 2.23373526 1
Ti Ti2 1 0.00000000 0.00000000 0.00000000 1
W W3 1 0.00000000 0.00000000 4.45011968 1
[/CIF]
| Bi2TiW | Cmmm | 65 | orthorhombic | mmm | 12,311.427165 | false |
[CIF]
data_ReSbP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49457949
_cell_length_b 4.49457949
_cell_length_c 4.49457949
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReSbP2
_chemical_formula_sum 'Re1 Sb1 P2'
_cell_volume 64.20253842
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
P P0 1 1.58907382 1.58907382 1.58907382 1
P P1 1 4.76722145 4.76722145 4.76722145 1
Re Re2 1 3.17814764 3.17814764 3.17814764 1
Sb Sb3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| P2ReSb | Fm-3m | 225 | cubic | m-3m | 9,567.668122 | false |
[CIF]
data_La2RhBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36955376
_cell_length_b 5.36955376
_cell_length_c 3.59658974
_cell_angle_alpha 96.47119769
_cell_angle_beta 96.47119769
_cell_angle_gamma 94.63655791
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2RhBr
_chemical_formula_sum 'La2 Rh1 Br1'
_cell_volume 101.91958131
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
La La1 1 1.52111483 -1.97366247 1.77326974 1
La La2 1 1.52111483 1.97366247 1.77326974 1
Rh Rh3 1 3.64015568 -0.00000000 0.00000000 1
[/CIF]
| BrLa2Rh | C2/m | 12 | monoclinic | 2/m | 7,504.723093 | false |
[CIF]
data_MgFeGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21461436
_cell_length_b 4.21461436
_cell_length_c 2.96065399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgFeGe
_chemical_formula_sum 'Mg1 Fe1 Ge1'
_cell_volume 45.54429364
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 2.10730720 1.21665435 1.48032700 1
Ge Ge1 1 0.00000002 2.43330872 1.48032700 1
Mg Mg2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| FeGeMg | P-6m2 | 187 | hexagonal | -6m2 | 5,570.703673 | false |
[CIF]
data_Y2GeRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03441608
_cell_length_b 4.15770709
_cell_length_c 5.70736353
_cell_angle_alpha 90.00000000
_cell_angle_beta 110.35293605
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2GeRh
_chemical_formula_sum 'Y2 Ge1 Rh1'
_cell_volume 89.75794208
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 0.30388401 0.00000000 2.54034167 1
Rh Rh1 1 0.23563426 2.07885354 4.18863772 1
Y Y2 1 -1.75413069 0.00000000 4.82200169 1
Y Y3 1 2.30365503 2.07885354 1.82662239 1
[/CIF]
| GeRhY2 | Pm | 6 | monoclinic | m | 6,537.175669 | false |
[CIF]
data_SiMo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90170608
_cell_length_b 4.90170608
_cell_length_c 4.90170608
_cell_angle_alpha 142.12983113
_cell_angle_beta 142.12983113
_cell_angle_gamma 54.63327990
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiMo2
_chemical_formula_sum 'Si1 Mo2'
_cell_volume 44.07292955
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mo Mo0 1 -0.00000000 0.00000000 5.80167522 1
Mo Mo1 1 0.00000000 0.00000000 2.90849956 1
Si Si2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Mo2Si | I4/mmm | 139 | tetragonal | 4/mmm | 8,289.163697 | false |
[CIF]
data_AlAgIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20719203
_cell_length_b 5.20719203
_cell_length_c 4.76800840
_cell_angle_alpha 114.90230163
_cell_angle_beta 114.90230163
_cell_angle_gamma 31.30814306
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlAgIr2
_chemical_formula_sum 'Al1 Ag1 Ir2'
_cell_volume 60.41729063
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 3.89233715 0.00000000 2.47910425 1
Al Al1 1 1.22381150 -0.00000000 2.90207470 1
Ir Ir2 1 9.78536933 -0.00000000 0.29949728 1
Ir Ir3 1 7.04120672 -0.00000000 0.75126823 1
[/CIF]
| AgAlIr2 | Cm | 8 | monoclinic | m | 14,272.254276 | false |
[CIF]
data_FeTcBi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.82932511
_cell_length_b 6.82932511
_cell_length_c 6.82932511
_cell_angle_alpha 149.25032774
_cell_angle_beta 145.78354733
_cell_angle_gamma 46.65982627
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeTcBi2
_chemical_formula_sum 'Fe1 Tc1 Bi2'
_cell_volume 91.24776063
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 12.53888378 1
Bi Bi1 1 -0.00000000 2.00903414 2.91928435 1
Fe Fe2 1 -0.00000000 -0.00000000 5.61496968 1
Tc Tc3 1 1.81067719 0.00000000 4.01069326 1
[/CIF]
| Bi2FeTc | Imm2 | 44 | orthorhombic | mm2 | 10,422.290293 | false |
[CIF]
data_ScBe2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19519954
_cell_length_b 4.19519954
_cell_length_c 2.96540543
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 101.43597477
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScBe2Ir
_chemical_formula_sum 'Sc1 Be2 Ir1'
_cell_volume 51.15410424
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.32806992 1.62362406 1.48270272 1
Be Be1 1 1.32806992 -1.62362406 1.48270272 1
Ir Ir2 1 2.65613984 -0.00000000 0.00000000 1
Sc Sc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Be2IrSc | Cmmm | 65 | orthorhombic | mmm | 8,284.086933 | false |
[CIF]
data_BaYNbRe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18504820
_cell_length_b 5.18504820
_cell_length_c 5.18504820
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaYNbRe
_chemical_formula_sum 'Ba1 Y1 Nb1 Re1'
_cell_volume 98.56969095
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 3.66638274 3.66638274 3.66638274 1
Nb Nb1 1 1.83319137 1.83319137 1.83319137 1
Re Re2 1 5.49957411 5.49957411 5.49957411 1
Y Y3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BaNbReY | F-43m | 216 | cubic | -43m | 8,513.237173 | false |
[CIF]
data_Ga2BiW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82056812
_cell_length_b 4.82056812
_cell_length_c 4.82056812
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ga2BiW
_chemical_formula_sum 'Ga2 Bi1 W1'
_cell_volume 79.20993840
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 3.40865641 3.40865641 3.40865641 1
Ga Ga1 1 1.70432820 1.70432820 1.70432820 1
Ga Ga2 1 5.11298461 5.11298461 5.11298461 1
W W3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BiGa2W | Fm-3m | 225 | cubic | m-3m | 11,158.311304 | false |
[CIF]
data_BaIn2As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94003011
_cell_length_b 3.94003011
_cell_length_c 7.59824017
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaIn2As
_chemical_formula_sum 'Ba1 In2 As1'
_cell_volume 117.95384392
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Ba Ba1 1 0.00000000 0.00000000 3.79912008 1
In In2 1 1.97001505 1.97001505 6.15801122 1
In In3 1 1.97001505 1.97001505 1.44022895 1
[/CIF]
| AsBaIn2 | P4/mmm | 123 | tetragonal | 4/mmm | 6,220.79465 | false |
[CIF]
data_FeRePb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.97908400
_cell_length_b 2.97908400
_cell_length_c 6.69665785
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeRePb
_chemical_formula_sum 'Fe1 Re1 Pb1'
_cell_volume 51.47000838
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 6.49922096 1
Pb Pb1 1 1.48954200 0.85998747 2.14718751 1
Re Re2 1 0.00000000 1.71997495 4.74690723 1
[/CIF]
| FePbRe | P3m1 | 156 | trigonal | 3m | 14,493.887211 | false |
[CIF]
data_CaMnRuAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56910295
_cell_length_b 4.56910295
_cell_length_c 4.56910295
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaMnRuAu
_chemical_formula_sum 'Ca1 Mn1 Ru1 Au1'
_cell_volume 67.44935997
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 3.23084368 3.23084368 3.23084368 1
Ca Ca1 1 0.00000000 0.00000000 0.00000000 1
Mn Mn2 1 4.84626552 4.84626552 4.84626552 1
Ru Ru3 1 1.61542184 1.61542184 1.61542184 1
[/CIF]
| AuCaMnRu | F-43m | 216 | cubic | -43m | 9,676.58138 | false |
[CIF]
data_GePt2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95432056
_cell_length_b 3.64146712
_cell_length_c 6.10855646
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GePt2Au
_chemical_formula_sum 'Ge1 Pt2 Au1'
_cell_volume 65.71622413
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 0.00000000 0.00000000 3.05427823 1
Ge Ge1 1 0.00000000 0.00000000 0.00000000 1
Pt Pt2 1 1.47716028 1.82073356 1.41222691 1
Pt Pt3 1 1.47716028 1.82073356 4.69632955 1
[/CIF]
| AuGePt2 | Pmmm | 47 | orthorhombic | mmm | 16,671.399819 | false |
[CIF]
data_K2LaCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80789527
_cell_length_b 5.80789527
_cell_length_c 5.80789527
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2LaCu
_chemical_formula_sum 'K2 La1 Cu1'
_cell_volume 138.52920168
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 4.10680213 4.10680213 4.10680213 1
K K1 1 0.00000000 0.00000000 0.00000000 1
K K2 1 6.16020320 6.16020319 6.16020320 1
La La3 1 2.05340107 2.05340107 2.05340106 1
[/CIF]
| CuK2La | F-43m | 216 | cubic | -43m | 3,364.107196 | false |
[CIF]
data_Zr2ZnPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74981755
_cell_length_b 4.74981755
_cell_length_c 4.74981755
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr2ZnPt
_chemical_formula_sum 'Zr2 Zn1 Pt1'
_cell_volume 75.77322749
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 3.35862820 3.35862820 3.35862820 1
Zn Zn1 1 -0.00000000 -0.00000000 -0.00000000 1
Zr Zr2 1 5.03794230 5.03794230 5.03794230 1
Zr Zr3 1 1.67931410 1.67931410 1.67931410 1
[/CIF]
| PtZnZr2 | Fm-3m | 225 | cubic | m-3m | 9,706.234028 | false |
[CIF]
data_KTiBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14323740
_cell_length_b 5.14323740
_cell_length_c 5.14323740
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KTiBi
_chemical_formula_sum 'K1 Ti1 Bi1'
_cell_volume 96.20435088
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 5.45522706 5.45522706 5.45522706 1
K K1 1 0.00000000 0.00000000 0.00000000 1
Ti Ti2 1 1.81840902 1.81840902 1.81840902 1
[/CIF]
| BiKTi | F-43m | 216 | cubic | -43m | 5,108.182654 | false |
[CIF]
data_HfPIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69809476
_cell_length_b 5.69809476
_cell_length_c 5.69809476
_cell_angle_alpha 149.83705077
_cell_angle_beta 149.83705077
_cell_angle_gamma 43.18064713
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfPIr
_chemical_formula_sum 'Hf1 P1 Ir1'
_cell_volume 46.58494247
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 0.10839301 1
Ir Ir1 1 0.00000000 -0.00000000 3.30080944 1
P P2 1 -0.00000000 0.00000000 7.18741494 1
[/CIF]
| HfIrP | I4mm | 107 | tetragonal | 4mm | 14,318.072798 | false |
[CIF]
data_KSbPd4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47323566
_cell_length_b 5.47323566
_cell_length_c 5.47323566
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KSbPd4
_chemical_formula_sum 'K1 Sb1 Pd4'
_cell_volume 115.93576865
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K K0 1 0.00000000 0.00000000 0.00000000 1
Pd Pd1 1 4.83143164 4.83143164 2.90889246 1
Pd Pd2 1 4.83143164 2.90889246 4.83143164 1
Pd Pd3 1 2.90889246 4.83143164 4.83143164 1
Pd Pd4 1 2.90889246 2.90889246 2.90889246 1
Sb Sb5 1 5.80524307 5.80524307 5.80524308 1
[/CIF]
| KPd4Sb | F-43m | 216 | cubic | -43m | 8,400.942803 | false |
[CIF]
data_BeInFePd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36634106
_cell_length_b 4.36634106
_cell_length_c 4.36634106
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeInFePd
_chemical_formula_sum 'Be1 In1 Fe1 Pd1'
_cell_volume 58.86240045
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Fe Fe1 1 4.63120405 4.63120406 4.63120406 1
In In2 1 1.54373469 1.54373469 1.54373468 1
Pd Pd3 1 3.08746937 3.08746937 3.08746937 1
[/CIF]
| BeFeInPd | F-43m | 216 | cubic | -43m | 8,070.894541 | false |
[CIF]
data_Yb3I2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.87019486
_cell_length_b 9.87019486
_cell_length_c 9.87019486
_cell_angle_alpha 41.73128559
_cell_angle_beta 41.73128559
_cell_angle_gamma 41.73128559
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb3I2
_chemical_formula_sum 'Yb6 I4'
_cell_volume 385.17903539
_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
I I0 1 0.00000000 0.00000000 22.23787194 1
I I1 1 0.00000000 0.00000000 18.24762955 1
I I2 1 0.00000000 0.00000000 8.74270478 1
I I3 1 0.00000000 0.00000000 4.75246239 1
Yb Yb4 1 -2.22929102 -0.19815492 15.74436169 1
Yb Yb5 1 1.28625271 -1.83154519 15.74436169 1
Yb Yb6 1 0.94303831 2.02970012 15.74436169 1
Yb Yb7 1 -0.94303831 -2.02970012 11.24597264 1
Yb Yb8 1 -1.28625271 1.83154519 11.24597264 1
Yb Yb9 1 2.22929102 0.19815492 11.24597264 1
[/CIF]
| I4Yb6 | R-3c | 167 | trigonal | -3m | 6,664.684835 | false |
[CIF]
data_ScCrW2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48533858
_cell_length_b 4.48533858
_cell_length_c 4.48533858
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScCrW2
_chemical_formula_sum 'Sc1 Cr1 W2'
_cell_volume 63.80734836
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 4.75741999 4.75741999 4.75741999 1
Sc Sc1 1 0.00000000 0.00000000 0.00000000 1
W W2 1 1.58580666 1.58580666 1.58580666 1
W W3 1 3.17161332 3.17161332 3.17161332 1
[/CIF]
| CrScW2 | F-43m | 216 | cubic | -43m | 12,091.709657 | false |
[CIF]
data_TcSeCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.83005118
_cell_length_b 8.83005118
_cell_length_c 8.83005118
_cell_angle_alpha 21.69738237
_cell_angle_beta 21.69738237
_cell_angle_gamma 21.69738237
_symmetry_Int_Tables_number 1
_chemical_formula_structural TcSeCl2
_chemical_formula_sum 'Tc1 Se1 Cl2'
_cell_volume 82.46822227
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 25.20697101 1
Cl Cl1 1 -0.00000000 -0.00000000 19.87146621 1
Se Se2 1 0.00000000 0.00000000 13.28880982 1
Tc Tc3 1 -0.00000000 -0.00000000 6.27518389 1
[/CIF]
| Cl2SeTc | R3m | 160 | trigonal | 3m | 5,009.153164 | false |
[CIF]
data_Cd2PbBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48881268
_cell_length_b 5.36039641
_cell_length_c 6.04602571
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd2PbBr
_chemical_formula_sum 'Cd2 Pb1 Br1'
_cell_volume 113.06925988
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Cd Cd1 1 0.00000000 2.68019821 3.02301286 1
Cd Cd2 1 1.74440634 0.00000000 3.02301286 1
Pb Pb3 1 1.74440634 2.68019821 0.00000000 1
[/CIF]
| BrCd2Pb | Pmmm | 47 | orthorhombic | mmm | 7,518.162966 | false |
[CIF]
data_Zn2CdMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93993242
_cell_length_b 4.93993242
_cell_length_c 2.81708766
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 108.70095423
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn2CdMo
_chemical_formula_sum 'Zn2 Cd1 Mo1'
_cell_volume 65.11579242
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 2.87911881 0.00000000 0.00000000 1
Mo Mo1 1 0.00000000 0.00000000 0.00000000 1
Zn Zn2 1 1.43955941 2.00708789 1.40854383 1
Zn Zn3 1 1.43955941 -2.00708789 1.40854383 1
[/CIF]
| CdMoZn2 | Cmmm | 65 | orthorhombic | mmm | 8,648.290273 | false |
[CIF]
data_BeCd2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69595378
_cell_length_b 4.69595378
_cell_length_c 4.69595378
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeCd2Si
_chemical_formula_sum 'Be1 Cd2 Si1'
_cell_volume 73.22450466
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 4.98081114 4.98081114 4.98081114 1
Cd Cd2 1 1.66027038 1.66027038 1.66027038 1
Si Si3 1 3.32054076 3.32054076 3.32054076 1
[/CIF]
| BeCd2Si | Fm-3m | 225 | cubic | m-3m | 5,939.649114 | false |
[CIF]
data_SiHg2Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30674688
_cell_length_b 4.30674688
_cell_length_c 5.37734617
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiHg2Bi
_chemical_formula_sum 'Si1 Hg2 Bi1'
_cell_volume 99.73938612
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 2.15337344 2.15337344 0.00000000 1
Hg Hg1 1 2.15337344 0.00000000 2.68867309 1
Hg Hg2 1 0.00000000 2.15337344 2.68867309 1
Si Si3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BiHg2Si | P4/mmm | 123 | tetragonal | 4/mmm | 10,626.015381 | false |
[CIF]
data_CuPdPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35357842
_cell_length_b 3.35357842
_cell_length_c 7.96438285
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CuPdPb2
_chemical_formula_sum 'Cu1 Pd1 Pb2'
_cell_volume 89.57133796
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu Cu0 1 0.00000000 0.00000000 5.60777971 1
Pb Pb1 1 1.67678921 1.67678921 7.35453014 1
Pb Pb2 1 0.00000000 0.00000000 2.57175545 1
Pd Pd3 1 1.67678921 1.67678921 4.37689182 1
[/CIF]
| CuPb2Pd | P4mm | 99 | tetragonal | 4mm | 10,834.17571 | false |
[CIF]
data_ZrHgAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69084278
_cell_length_b 4.69084278
_cell_length_c 4.69084278
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrHgAu
_chemical_formula_sum 'Zr1 Hg1 Au1'
_cell_volume 72.98567588
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 4.97539011 4.97539011 4.97539011 1
Hg Hg1 1 1.65846337 1.65846337 1.65846337 1
Zr Zr2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AuHgZr | F-43m | 216 | cubic | -43m | 11,120.527693 | false |
[CIF]
data_YPPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.32691435
_cell_length_b 5.32691435
_cell_length_c 5.32691435
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YPPb2
_chemical_formula_sum 'Y1 P1 Pb2'
_cell_volume 106.88386359
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
P P0 1 0.00000000 0.00000000 0.00000000 1
Pb Pb1 1 5.65004589 5.65004589 5.65004589 1
Pb Pb2 1 1.88334863 1.88334863 1.88334863 1
Y Y3 1 3.76669726 3.76669726 3.76669726 1
[/CIF]
| PPb2Y | Fm-3m | 225 | cubic | m-3m | 8,300.524873 | false |
[CIF]
data_Li3Ti3VO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94556940
_cell_length_b 5.94556940
_cell_length_c 6.05155950
_cell_angle_alpha 119.58343624
_cell_angle_beta 119.58343624
_cell_angle_gamma 60.24769867
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li3Ti3VO8
_chemical_formula_sum 'Li3 Ti3 V1 O8'
_cell_volume 152.49714196
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li Li0 1 0.00000000 0.00000000 0.00000000 1
Li Li1 1 2.57128810 -1.49195387 0.00000000 1
Li Li2 1 2.57128810 1.49195387 0.00000000 1
Ti Ti3 1 -1.72704949 0.00000000 2.48448046 1
Ti Ti4 1 0.84423861 -1.49195387 2.48448046 1
Ti Ti5 1 0.84423861 1.49195387 2.48448046 1
V V6 1 3.41552672 0.00000000 2.48448046 1
O O7 1 -0.05162716 -0.00000000 3.57787298 1
O O8 1 6.88268060 -0.00000000 1.39108794 1
O O9 1 5.19229545 -0.00000000 3.63949555 1
O O10 1 1.63875799 -0.00000000 1.32946537 1
O O11 1 2.52654333 -1.58760900 3.57292141 1
O O12 1 2.52654333 1.58760900 3.57292141 1
O O13 1 4.30451010 -1.58760900 1.39603951 1
O O14 1 4.30451010 1.58760900 1.39603951 1
[/CIF]
| Li6O16Ti6V2 | C2/m | 12 | monoclinic | 2/m | 3,738.849494 | false |
[CIF]
data_LaGe2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.86221824
_cell_length_b 4.86221824
_cell_length_c 4.86221824
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaGe2Ir
_chemical_formula_sum 'La1 Ge2 Ir1'
_cell_volume 81.28087067
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 5.15716124 5.15716124 5.15716124 1
Ge Ge1 1 0.00000000 0.00000000 0.00000000 1
Ir Ir2 1 1.71905375 1.71905375 1.71905375 1
La La3 1 3.43810749 3.43810749 3.43810749 1
[/CIF]
| Ge2IrLa | F-43m | 216 | cubic | -43m | 9,732.731777 | false |
[CIF]
data_NaBi2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43950210
_cell_length_b 4.43950210
_cell_length_c 8.71040612
_cell_angle_alpha 102.59778073
_cell_angle_beta 102.59778073
_cell_angle_gamma 60.53678417
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaBi2Cl
_chemical_formula_sum 'Na1 Bi2 Cl1'
_cell_volume 144.62788509
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 0.11712988 -0.00000000 0.25356276 1
Bi Bi1 1 5.21596685 0.00000000 1.95226156 1
Cl Cl2 1 2.72279088 0.00000000 5.05692839 1
Na Na3 1 0.14746954 0.00000000 5.37938041 1
[/CIF]
| Bi2ClNa | Cm | 8 | monoclinic | m | 5,469.80783 | false |
[CIF]
data_CoSb4Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94202428
_cell_length_b 5.94202428
_cell_length_c 5.94202428
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CoSb4Rh
_chemical_formula_sum 'Co1 Sb4 Rh1'
_cell_volume 148.35024491
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Rh Rh1 1 2.10082283 2.10082283 2.10082283 1
Sb Sb2 1 3.15067198 3.15067198 5.25261934 1
Sb Sb3 1 3.15067198 5.25261934 3.15067198 1
Sb Sb4 1 5.25261934 3.15067198 3.15067198 1
Sb Sb5 1 5.25261934 5.25261934 5.25261934 1
[/CIF]
| CoRhSb4 | F-43m | 216 | cubic | -43m | 7,263.138818 | false |
[CIF]
data_Be3NiW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24368267
_cell_length_b 4.24368267
_cell_length_c 4.24368267
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be3NiW
_chemical_formula_sum 'Be3 Ni1 W1'
_cell_volume 76.42381326
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni Ni0 1 0.00000000 0.00000000 0.00000000 1
W W1 1 2.12184134 2.12184134 2.12184134 1
Be Be2 1 2.12184134 0.00000000 2.12184134 1
Be Be3 1 2.12184134 2.12184134 0.00000000 1
Be Be4 1 0.00000000 2.12184134 2.12184134 1
[/CIF]
| Be3NiW | Pm-3m | 221 | cubic | m-3m | 5,857.224436 | false |
[CIF]
data_NbCoAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99130042
_cell_length_b 4.99130042
_cell_length_c 2.79263968
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 109.01214979
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbCoAu2
_chemical_formula_sum 'Nb1 Co1 Au2'
_cell_volume 65.77800067
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.44901602 -2.03190121 1.39631984 1
Au Au1 1 1.44901602 2.03190121 1.39631984 1
Co Co2 1 0.00000000 0.00000000 0.00000000 1
Nb Nb3 1 2.89803205 0.00000000 0.00000000 1
[/CIF]
| Au2CoNb | Cmmm | 65 | orthorhombic | mmm | 13,777.811763 | false |
[CIF]
data_Gd(MnGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17395313
_cell_length_b 6.17395313
_cell_length_c 6.17395313
_cell_angle_alpha 141.79680332
_cell_angle_beta 141.79680332
_cell_angle_gamma 55.13499900
_symmetry_Int_Tables_number 1
_chemical_formula_structural Gd(MnGe)2
_chemical_formula_sum 'Gd1 Mn2 Ge2'
_cell_volume 89.36269318
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Gd Gd0 1 0.00000000 0.00000000 0.00000000 1
Ge Ge1 1 0.00000000 0.00000000 6.78852709 1
Ge Ge2 1 -0.00000000 0.00000000 4.15747491 1
Mn Mn3 1 2.02039072 -0.00000000 2.73650050 1
Mn Mn4 1 -0.00000000 2.02039072 2.73650050 1
[/CIF]
| GdGe2Mn2 | I4/mmm | 139 | tetragonal | 4/mmm | 7,663.336895 | false |
[CIF]
data_SrTaVAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89865499
_cell_length_b 4.89865499
_cell_length_c 4.89865499
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrTaVAg
_chemical_formula_sum 'Sr1 Ta1 V1 Ag1'
_cell_volume 83.12191909
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 5.19580824 5.19580824 5.19580824 1
Sr Sr1 1 3.46387216 3.46387216 3.46387216 1
Ta Ta2 1 1.73193608 1.73193608 1.73193608 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AgSrTaV | F-43m | 216 | cubic | -43m | 8,537.786129 | false |
[CIF]
data_ScCoTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31006135
_cell_length_b 5.31006135
_cell_length_c 5.31006135
_cell_angle_alpha 146.16134104
_cell_angle_beta 146.16134104
_cell_angle_gamma 48.60717957
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScCoTc
_chemical_formula_sum 'Sc1 Co1 Tc1'
_cell_volume 46.22931047
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 0.15508606 1
Sc Sc1 1 0.00000000 -0.00000000 3.24547952 1
Tc Tc2 1 0.00000000 -0.00000000 6.27837513 1
[/CIF]
| CoScTc | I4mm | 107 | tetragonal | 4mm | 7,284.329496 | false |
[CIF]
data_Cr2BCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.76538238
_cell_length_b 3.51688265
_cell_length_c 5.05152574
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr2BCl
_chemical_formula_sum 'Cr2 B1 Cl1'
_cell_volume 49.12874145
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Cl Cl1 1 1.38269119 0.00000000 2.52576287 1
Cr Cr2 1 1.38269119 1.75844132 0.00000000 1
Cr Cr3 1 0.00000000 1.75844132 2.52576287 1
[/CIF]
| BClCr2 | Pmmm | 47 | orthorhombic | mmm | 5,078.621652 | false |
[CIF]
data_TlAg2Te
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26354309
_cell_length_b 5.26354309
_cell_length_c 5.26354309
_cell_angle_alpha 123.40623079
_cell_angle_beta 123.40623079
_cell_angle_gamma 84.19500387
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlAg2Te
_chemical_formula_sum 'Tl1 Ag2 Te1'
_cell_volume 97.25949303
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 2.49513172 1.95278783 1
Ag Ag1 1 2.49513172 -0.00000000 1.95278783 1
Te Te2 1 0.00000000 0.00000000 0.00000000 1
Tl Tl3 1 0.00000000 0.00000000 3.90557566 1
[/CIF]
| Ag2TeTl | I4/mmm | 139 | tetragonal | 4/mmm | 9,351.374668 | false |
[CIF]
data_MoAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.82468790
_cell_length_b 2.82468790
_cell_length_c 9.49458653
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 108.80689107
_symmetry_Int_Tables_number 1
_chemical_formula_structural MoAs
_chemical_formula_sum 'Mo2 As2'
_cell_volume 71.71141810
_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
As As0 1 1.64417759 1.14842738 1.60976499 1
As As1 1 1.64417759 -1.14842738 7.88482154 1
Mo Mo2 1 1.64417759 1.14842738 5.84304270 1
Mo Mo3 1 1.64417759 -1.14842738 3.65154383 1
[/CIF]
| As2Mo2 | Cmme | 67 | orthorhombic | mmm | 7,913.818471 | false |
[CIF]
data_CeCuSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61553245
_cell_length_b 4.61553245
_cell_length_c 7.58645900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeCuSn
_chemical_formula_sum 'Ce2 Cu2 Sn2'
_cell_volume 139.96303905
_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
Ce Ce0 1 0.00000000 0.00000000 7.49917679 1
Ce Ce1 1 0.00000000 0.00000000 3.70594729 1
Cu Cu2 1 -0.00000000 2.66477890 2.22945547 1
Cu Cu3 1 2.30776622 1.33238945 6.02268497 1
Sn Sn4 1 2.30776622 1.33238945 1.70872092 1
Sn Sn5 1 -0.00000000 2.66477890 5.50195042 1
[/CIF]
| Ce2Cu2Sn2 | P6_3mc | 186 | hexagonal | 6mm | 7,649.323263 | false |
[CIF]
data_ZrTaTcAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65326082
_cell_length_b 4.65326082
_cell_length_c 4.65326082
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrTaTcAg
_chemical_formula_sum 'Zr1 Ta1 Tc1 Ag1'
_cell_volume 71.24545913
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 3.29035228 3.29035228 3.29035228 1
Ta Ta1 1 4.93552842 4.93552842 4.93552842 1
Tc Tc2 1 1.64517614 1.64517614 1.64517614 1
Zr Zr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AgTaTcZr | F-43m | 216 | cubic | -43m | 11,162.943132 | false |
[CIF]
data_La2TiCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.44270293
_cell_length_b 3.44270293
_cell_length_c 9.23825701
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2TiCd
_chemical_formula_sum 'La2 Ti1 Cd1'
_cell_volume 109.49370156
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.72135146 1.72135146 6.52493880 1
La La1 1 0.00000000 0.00000000 8.93741456 1
La La2 1 1.72135146 1.72135146 2.74091344 1
Ti Ti3 1 0.00000000 0.00000000 4.89237573 1
[/CIF]
| CdLa2Ti | P4mm | 99 | tetragonal | 4mm | 6,643.963107 | false |
[CIF]
data_BaTiRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84815038
_cell_length_b 6.84815038
_cell_length_c 6.84815038
_cell_angle_alpha 151.48137757
_cell_angle_beta 151.48137757
_cell_angle_gamma 40.77115151
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaTiRu
_chemical_formula_sum 'Ba1 Ti1 Ru1'
_cell_volume 73.05630234
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 12.73408279 1
Ru Ru1 1 0.00000000 -0.00000000 3.68599324 1
Ti Ti2 1 -0.00000000 0.00000000 9.25691901 1
[/CIF]
| BaRuTi | I4mm | 107 | tetragonal | 4mm | 6,506.660482 | false |
[CIF]
data_Ba2GaCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79912249
_cell_length_b 5.79912249
_cell_length_c 3.98120058
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba2GaCu
_chemical_formula_sum 'Ba2 Ga1 Cu1'
_cell_volume 133.88706547
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 2.89956125 0.00000000 1.99060029 1
Ba Ba1 1 0.00000000 2.89956125 1.99060029 1
Cu Cu2 1 0.00000000 0.00000000 0.00000000 1
Ga Ga3 1 2.89956125 2.89956125 0.00000000 1
[/CIF]
| Ba2CuGa | P4/mmm | 123 | tetragonal | 4/mmm | 5,059.27944 | false |
[CIF]
data_CaMg2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78756597
_cell_length_b 6.64216064
_cell_length_c 6.64216064
_cell_angle_alpha 37.87176988
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaMg2Se
_chemical_formula_sum 'Ca1 Mg2 Se1'
_cell_volume 102.58266973
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 9.01930439 1
Mg Mg1 1 1.89378298 0.00000000 0.58849946 1
Mg Mg2 1 0.00000000 -0.00000000 5.68122493 1
Se Se3 1 1.89378298 -0.00000000 3.46450175 1
[/CIF]
| CaMg2Se | Amm2 | 38 | orthorhombic | mm2 | 2,713.774417 | false |
[CIF]
data_SrCdTcIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82895090
_cell_length_b 4.82895090
_cell_length_c 4.82895090
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrCdTcIr
_chemical_formula_sum 'Sr1 Cd1 Tc1 Ir1'
_cell_volume 79.62388649
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 5.12187590 5.12187590 5.12187590 1
Ir Ir1 1 3.41458393 3.41458393 3.41458393 1
Sr Sr2 1 -0.00000000 -0.00000000 0.00000000 1
Tc Tc3 1 1.70729196 1.70729196 1.70729197 1
[/CIF]
| CdIrSrTc | F-43m | 216 | cubic | -43m | 10,242.915447 | false |
[CIF]
data_AlNiOsAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35325863
_cell_length_b 4.35325863
_cell_length_c 4.35325863
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlNiOsAu
_chemical_formula_sum 'Al1 Ni1 Os1 Au1'
_cell_volume 58.33489388
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Au Au1 1 4.61732805 4.61732805 4.61732805 1
Ni Ni2 1 1.53910935 1.53910935 1.53910935 1
Os Os3 1 3.07821870 3.07821870 3.07821870 1
[/CIF]
| AlAuNiOs | F-43m | 216 | cubic | -43m | 13,460.581817 | false |
[CIF]
data_La2FeAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.62107040
_cell_length_b 3.62107040
_cell_length_c 7.59289058
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 100.86854788
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2FeAs
_chemical_formula_sum 'La2 Fe1 As1'
_cell_volume 97.77327153
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 0.00000000 0.00000000 3.79644529 1
Fe Fe1 1 0.00000000 0.00000000 0.00000000 1
La La2 1 2.30648772 0.00000000 1.75279707 1
La La3 1 2.30648772 0.00000000 5.84009351 1
[/CIF]
| AsFeLa2 | Cmmm | 65 | orthorhombic | mmm | 6,939.104689 | false |
[CIF]
data_TaGe2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.22075479
_cell_length_b 3.22075479
_cell_length_c 8.39191818
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaGe2Pb
_chemical_formula_sum 'Ta1 Ge2 Pb1'
_cell_volume 87.05156107
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.61037740 1.61037740 8.32817837 1
Ge Ge1 1 0.00000000 0.00000000 1.44424803 1
Pb Pb2 1 1.61037740 1.61037740 4.41789990 1
Ta Ta3 1 0.00000000 0.00000000 6.78946924 1
[/CIF]
| Ge2PbTa | P4mm | 99 | tetragonal | 4mm | 10,175.323946 | false |
[CIF]
data_BaOsBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47159102
_cell_length_b 5.47159102
_cell_length_c 5.47159102
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaOsBr2
_chemical_formula_sum 'Ba1 Os1 Br2'
_cell_volume 115.83128841
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 0.00000000 1
Br Br1 1 1.93449956 1.93449956 1.93449956 1
Br Br2 1 5.80349867 5.80349867 5.80349867 1
Os Os3 1 3.86899912 3.86899912 3.86899912 1
[/CIF]
| BaBr2Os | Fm-3m | 225 | cubic | m-3m | 6,986.867231 | false |
[CIF]
data_LiCd2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03464474
_cell_length_b 5.31336201
_cell_length_c 4.15922536
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.60838168
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiCd2Se
_chemical_formula_sum 'Li1 Cd2 Se1'
_cell_volume 89.12838185
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 2.93751548 2.65668101 3.12418739 1
Cd Cd1 1 0.98038867 2.65668101 1.03339932 1
Li Li2 1 0.00000000 0.00000000 0.00000000 1
Se Se3 1 1.95895207 0.00000000 2.07879336 1
[/CIF]
| Cd2LiSe | P2/m | 10 | monoclinic | 2/m | 5,789.039021 | false |
[CIF]
data_CrCd2P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80306337
_cell_length_b 4.80306337
_cell_length_c 4.80306337
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrCd2P
_chemical_formula_sum 'Cr1 Cd2 P1'
_cell_volume 78.35017165
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 5.09441802 5.09441802 5.09441802 1
Cd Cd1 1 1.69813934 1.69813934 1.69813934 1
Cr Cr2 1 3.39627868 3.39627868 3.39627868 1
P P3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Cd2CrP | Fm-3m | 225 | cubic | m-3m | 6,523.283874 | false |
[CIF]
data_ZrVCrCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30186857
_cell_length_b 4.30186857
_cell_length_c 4.30186857
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrVCrCo
_chemical_formula_sum 'Zr1 V1 Cr1 Co1'
_cell_volume 56.29326216
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 3.04188044 3.04188044 3.04188044 1
Cr Cr1 1 1.52094022 1.52094022 1.52094022 1
V V2 1 0.00000000 0.00000000 0.00000000 1
Zr Zr3 1 4.56282066 4.56282066 4.56282066 1
[/CIF]
| CoCrVZr | F-43m | 216 | cubic | -43m | 7,465.792149 | false |
[CIF]
data_ScFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94240653
_cell_length_b 4.94240653
_cell_length_c 8.08713681
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScFe2
_chemical_formula_sum 'Sc4 Fe8'
_cell_volume 171.08122529
_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
Sc Sc0 1 -0.00000000 2.85349974 3.53433984 1
Sc Sc1 1 2.47120327 1.42674987 4.55279697 1
Sc Sc2 1 2.47120327 1.42674987 7.57790824 1
Sc Sc3 1 -0.00000000 2.85349974 0.50922857 1
Fe Fe4 1 0.00000000 0.00000000 4.04356841 1
Fe Fe5 1 0.00000000 0.00000000 0.00000000 1
Fe Fe6 1 3.69195308 0.72194964 2.02178420 1
Fe Fe7 1 2.47120327 2.83635034 2.02178420 1
Fe Fe8 1 1.25045345 0.72194964 2.02178420 1
Fe Fe9 1 -1.22074981 3.55829998 6.06535261 1
Fe Fe10 1 0.00000000 1.44389928 6.06535261 1
Fe Fe11 1 1.22074981 3.55829998 6.06535261 1
[/CIF]
| Fe8Sc4 | P6_3/mmc | 194 | hexagonal | 6/mmm | 6,081.619153 | false |
[CIF]
data_Hf2ZrIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76230814
_cell_length_b 4.76230814
_cell_length_c 4.76230814
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2ZrIr
_chemical_formula_sum 'Hf2 Zr1 Ir1'
_cell_volume 76.37258312
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 5.05119057 5.05119057 5.05119057 1
Hf Hf1 1 1.68373019 1.68373019 1.68373019 1
Ir Ir2 1 3.36746038 3.36746038 3.36746038 1
Zr Zr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Hf2IrZr | Fm-3m | 225 | cubic | m-3m | 13,924.42217 | false |
[CIF]
data_SiSn3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04395515
_cell_length_b 5.04395515
_cell_length_c 5.04395515
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiSn3Ru
_chemical_formula_sum 'Si1 Sn3 Ru1'
_cell_volume 128.32570200
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 2.52197758 2.52197758 2.52197758 1
Si Si1 1 0.00000000 0.00000000 0.00000000 1
Sn Sn2 1 0.00000000 2.52197758 0.00000000 1
Sn Sn3 1 0.00000000 0.00000000 2.52197758 1
Sn Sn4 1 2.52197758 0.00000000 0.00000000 1
[/CIF]
| RuSiSn3 | Pm-3m | 221 | cubic | m-3m | 6,279.611322 | false |
[CIF]
data_Be2FeRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.74286070
_cell_length_b 2.74286070
_cell_length_c 5.47653630
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be2FeRh
_chemical_formula_sum 'Be2 Fe1 Rh1'
_cell_volume 41.20154241
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.37143035 1.37143035 4.05819221 1
Be Be1 1 1.37143035 1.37143035 1.41834409 1
Fe Fe2 1 0.00000000 0.00000000 0.00000000 1
Rh Rh3 1 0.00000000 0.00000000 2.73826815 1
[/CIF]
| Be2FeRh | P4/mmm | 123 | tetragonal | 4/mmm | 7,124.52861 | false |
[CIF]
data_Y2HfMg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42684022
_cell_length_b 3.42684022
_cell_length_c 9.28716715
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2HfMg
_chemical_formula_sum 'Y2 Hf1 Mg1'
_cell_volume 109.06137605
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 0.00000000 0.00000000 4.64358358 1
Mg Mg1 1 0.00000000 0.00000000 0.00000000 1
Y Y2 1 1.71342011 1.71342011 2.38158628 1
Y Y3 1 1.71342011 1.71342011 6.90558087 1
[/CIF]
| HfMgY2 | P4/mmm | 123 | tetragonal | 4/mmm | 5,795.014855 | false |
[CIF]
data_VSi2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34172201
_cell_length_b 3.34172201
_cell_length_c 5.10004693
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VSi2Ge
_chemical_formula_sum 'V1 Si2 Ge1'
_cell_volume 56.95276463
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 2.55002346 1
Si Si1 1 1.67086100 1.67086100 3.88303589 1
Si Si2 1 1.67086100 1.67086100 1.21701104 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| GeSi2V | P4/mmm | 123 | tetragonal | 4/mmm | 5,240.943369 | false |
[CIF]
data_FeOsW2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.70087711
_cell_length_b 2.70087711
_cell_length_c 7.88123425
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 92.30004471
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeOsW2
_chemical_formula_sum 'Fe1 Os1 W2'
_cell_volume 57.44521493
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 3.84581084 1
Os Os1 1 1.87109334 0.00000000 2.16952646 1
W W2 1 0.00000000 0.00000000 0.08755626 1
W W3 1 1.87109334 0.00000000 5.71895774 1
[/CIF]
| FeOsW2 | Cmm2 | 35 | orthorhombic | mm2 | 17,741.49781 | false |
[CIF]
data_CdIn2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.97415764
_cell_length_b 2.97415764
_cell_length_c 9.62156461
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdIn2W
_chemical_formula_sum 'Cd1 In2 W1'
_cell_volume 85.10864362
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
In In1 1 1.48707882 1.48707882 2.64211012 1
In In2 1 1.48707882 1.48707882 6.97945449 1
W W3 1 0.00000000 0.00000000 4.81078231 1
[/CIF]
| CdIn2W | P4/mmm | 123 | tetragonal | 4/mmm | 10,261.330101 | false |
[CIF]
data_LaZnHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24109706
_cell_length_b 6.24109706
_cell_length_c 6.24109706
_cell_angle_alpha 146.18782051
_cell_angle_beta 146.18782051
_cell_angle_gamma 48.56787070
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaZnHg
_chemical_formula_sum 'La1 Zn1 Hg1'
_cell_volume 74.95640756
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 0.23459196 1
La La1 1 0.00000000 -0.00000000 3.72541268 1
Zn Zn2 1 -0.00000000 0.00000000 7.41774774 1
[/CIF]
| HgLaZn | I4mm | 107 | tetragonal | 4mm | 8,969.367089 | false |
[CIF]
data_IrPbSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.75463669
_cell_length_b 6.75463669
_cell_length_c 6.75463669
_cell_angle_alpha 151.90473623
_cell_angle_beta 151.90473623
_cell_angle_gamma 40.15243554
_symmetry_Int_Tables_number 1
_chemical_formula_structural IrPbSe
_chemical_formula_sum 'Ir1 Pb1 Se1'
_cell_volume 68.21540337
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ir Ir0 1 -0.00000000 -0.00000000 12.31601575 1
Pb Pb1 1 0.00000000 -0.00000000 8.15640589 1
Se Se2 1 0.00000000 -0.00000000 4.90439232 1
[/CIF]
| IrPbSe | I4mm | 107 | tetragonal | 4mm | 11,644.931465 | false |
[CIF]
data_Y2TiW2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.57323237
_cell_length_b 8.57323237
_cell_length_c 8.57323237
_cell_angle_alpha 154.38062065
_cell_angle_beta 154.38062065
_cell_angle_gamma 36.54661478
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2TiW2
_chemical_formula_sum 'Y2 Ti1 W2'
_cell_volume 117.65365835
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ti Ti0 1 0.00000000 0.00000000 0.00000000 1
W W1 1 0.00000000 1.90080057 4.07044922 1
W W2 1 1.90080057 0.00000000 4.07044923 1
Y Y3 1 0.00000000 0.00000000 9.83915109 1
Y Y4 1 -0.00000000 0.00000000 6.44264581 1
[/CIF]
| TiW2Y2 | I4/mmm | 139 | tetragonal | 4/mmm | 8,374.540288 | false |
[CIF]
data_Ag2OsPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.03051844
_cell_length_b 4.10133036
_cell_length_c 6.12436043
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ag2OsPb
_chemical_formula_sum 'Ag2 Os1 Pb1'
_cell_volume 76.12063905
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 0.19512923 1
Ag Ag1 1 1.51525922 2.05066518 1.49990009 1
Os Os2 1 0.00000000 0.00000000 3.05290034 1
Pb Pb3 1 1.51525922 2.05066518 4.43861099 1
[/CIF]
| Ag2OsPb | Pmm2 | 25 | orthorhombic | mm2 | 13,375.961818 | false |
[CIF]
data_ZnNiHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69243536
_cell_length_b 6.48931790
_cell_length_c 2.91239001
_cell_angle_alpha 81.16643347
_cell_angle_beta 73.36507959
_cell_angle_gamma 25.46848694
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnNiHg
_chemical_formula_sum 'Zn1 Ni1 Hg1'
_cell_volume 50.39637828
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.70360958 2.36214520 0.10941429 1
Ni Ni1 1 1.70360958 2.36214520 8.49314273 1
Zn Zn2 1 1.70360958 2.36214520 3.92085483 1
[/CIF]
| HgNiZn | Fmm2 | 42 | orthorhombic | mm2 | 10,697.519893 | false |
[CIF]
data_Li2PbCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68666564
_cell_length_b 3.78483811
_cell_length_c 7.46951212
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2PbCl
_chemical_formula_sum 'Li2 Pb1 Cl1'
_cell_volume 104.22533402
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.84333282 1.89241906 0.00000000 1
Li Li1 1 1.84333282 0.00000000 3.73475606 1
Li Li2 1 0.00000000 0.00000000 0.00000000 1
Pb Pb3 1 0.00000000 1.89241906 3.73475606 1
[/CIF]
| ClLi2Pb | Pmmm | 47 | orthorhombic | mmm | 4,087.167419 | false |
[CIF]
data_SmCu2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58299309
_cell_length_b 4.58299309
_cell_length_c 4.58299309
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SmCu2W
_chemical_formula_sum 'Sm1 Cu2 W1'
_cell_volume 68.06637302
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.62033275 1.62033275 1.62033275 1
Cu Cu1 1 4.86099824 4.86099824 4.86099824 1
Sm Sm2 1 0.00000000 0.00000000 0.00000000 1
W W3 1 3.24066549 3.24066549 3.24066549 1
[/CIF]
| Cu2SmW | Fm-3m | 225 | cubic | m-3m | 11,253.624265 | false |
[CIF]
data_V2SnPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96301727
_cell_length_b 4.96301727
_cell_length_c 2.86206591
_cell_angle_alpha 90.88418105
_cell_angle_beta 90.88418105
_cell_angle_gamma 115.04539332
_symmetry_Int_Tables_number 1
_chemical_formula_structural V2SnPd
_chemical_formula_sum 'V2 Sn1 Pd1'
_cell_volume 63.84206028
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 0.00000000 0.00000000 0.00000000 1
Sn Sn1 1 2.66496891 0.00000000 0.00000000 1
V V2 1 1.29135958 -2.09341116 1.43044191 1
V V3 1 1.29135958 2.09341116 1.43044191 1
[/CIF]
| PdSnV2 | C2/m | 12 | monoclinic | 2/m | 8,505.644389 | false |
[CIF]
data_LaAg2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09004784
_cell_length_b 5.09004784
_cell_length_c 5.09004784
_cell_angle_alpha 125.00154216
_cell_angle_beta 117.57283436
_cell_angle_gamma 87.90971337
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaAg2Ge
_chemical_formula_sum 'La1 Ag2 Ge1'
_cell_volume 90.86708254
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 7.18405322 1
Ag Ag1 1 -0.00000000 2.63781433 1.66787319 1
Ge Ge2 1 -0.00000000 0.00000000 3.88263282 1
La La3 1 2.35026177 0.00000000 1.92247578 1
[/CIF]
| Ag2GeLa | Imm2 | 44 | orthorhombic | mm2 | 7,808.308771 | false |
[CIF]
data_NaMgAlIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60200179
_cell_length_b 4.60200179
_cell_length_c 4.60200179
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaMgAlIr
_chemical_formula_sum 'Na1 Mg1 Al1 Ir1'
_cell_volume 68.91683921
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 1.62705334 1.62705334 1.62705334 1
Ir Ir1 1 4.88116001 4.88116001 4.88116000 1
Mg Mg2 1 3.25410667 3.25410667 3.25410667 1
Na Na3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AlIrMgNa | F-43m | 216 | cubic | -43m | 6,421.109177 | false |
[CIF]
data_BeHg4Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84613993
_cell_length_b 5.84613993
_cell_length_c 5.84613993
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeHg4Au
_chemical_formula_sum 'Be1 Hg4 Au1'
_cell_volume 141.28388263
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 6.20076779 6.20076779 6.20076779 1
Be Be1 1 0.00000000 0.00000000 0.00000000 1
Hg Hg2 1 5.16686587 5.16686587 3.10082451 1
Hg Hg3 1 5.16686587 3.10082451 5.16686587 1
Hg Hg4 1 3.10082451 5.16686587 5.16686587 1
Hg Hg5 1 3.10082451 3.10082451 3.10082451 1
[/CIF]
| AuBeHg4 | F-43m | 216 | cubic | -43m | 11,851.216553 | false |
[CIF]
data_LiScV2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.60923909
_cell_length_b 2.60923909
_cell_length_c 9.59025095
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiScV2
_chemical_formula_sum 'Li1 Sc1 V2'
_cell_volume 65.29166205
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li Li0 1 0.00000000 0.00000000 0.00000000 1
Sc Sc1 1 0.00000000 0.00000000 4.79512547 1
V V2 1 1.30461954 1.30461954 7.12319764 1
V V3 1 1.30461954 1.30461954 2.46705331 1
[/CIF]
| LiScV2 | P4/mmm | 123 | tetragonal | 4/mmm | 3,911.028507 | false |
[CIF]
data_Th2SiSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31943589
_cell_length_b 5.31943589
_cell_length_c 5.31943589
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Th2SiSn
_chemical_formula_sum 'Th2 Si1 Sn1'
_cell_volume 106.43433194
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Sn Sn1 1 3.76140919 3.76140919 3.76140919 1
Th Th2 1 5.64211378 5.64211378 5.64211378 1
Th Th3 1 1.88070459 1.88070459 1.88070459 1
[/CIF]
| SiSnTh2 | Fm-3m | 225 | cubic | m-3m | 9,530.535601 | false |
[CIF]
data_KNb2Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94820436
_cell_length_b 4.94820436
_cell_length_c 4.94820436
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KNb2Cd
_chemical_formula_sum 'K1 Nb2 Cd1'
_cell_volume 85.66982621
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 3.49890886 3.49890886 3.49890886 1
K K1 1 0.00000000 -0.00000000 0.00000000 1
Nb Nb2 1 5.24836329 5.24836329 5.24836329 1
Nb Nb3 1 1.74945443 1.74945443 1.74945443 1
[/CIF]
| CdKNb2 | Fm-3m | 225 | cubic | m-3m | 6,538.316738 | false |
[CIF]
data_ZnGeP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10510619
_cell_length_b 5.10510619
_cell_length_c 5.10510619
_cell_angle_alpha 148.14465087
_cell_angle_beta 134.57591120
_cell_angle_gamma 56.54809052
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnGeP
_chemical_formula_sum 'Zn1 Ge1 P1'
_cell_volume 49.66149660
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 0.00971268 1
P P1 1 0.00000000 -0.00000000 2.87137254 1
Zn Zn2 1 0.00000000 0.00000000 6.11096738 1
[/CIF]
| GePZn | Imm2 | 44 | orthorhombic | mm2 | 5,650.670298 | false |
[CIF]
data_Na2Hf
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67950886
_cell_length_b 7.67950886
_cell_length_c 7.67950886
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2Hf
_chemical_formula_sum 'Na8 Hf4'
_cell_volume 452.89793171
_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
Hf Hf0 1 0.00000000 0.00000000 0.00000000 1
Hf Hf1 1 3.83975443 3.83975443 0.00000000 1
Hf Hf2 1 3.83975443 0.00000000 3.83975443 1
Hf Hf3 1 0.00000000 3.83975443 3.83975443 1
Na Na4 1 2.94764785 2.94764785 2.94764785 1
Na Na5 1 4.73186101 4.73186101 4.73186101 1
Na Na6 1 6.78740228 0.89210658 4.73186101 1
Na Na7 1 0.89210658 6.78740228 2.94764785 1
Na Na8 1 4.73186101 6.78740228 0.89210658 1
Na Na9 1 2.94764785 0.89210658 6.78740228 1
Na Na10 1 0.89210658 4.73186101 6.78740228 1
Na Na11 1 6.78740228 2.94764785 0.89210658 1
[/CIF]
| Hf4Na8 | Pa-3 | 205 | cubic | m-3 | 3,292.048048 | false |
[CIF]
data_Ta2TiNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.08203016
_cell_length_b 9.08203016
_cell_length_c 9.08203016
_cell_angle_alpha 18.57255776
_cell_angle_beta 18.57255776
_cell_angle_gamma 18.57255776
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta2TiNi
_chemical_formula_sum 'Ta2 Ti1 Ni1'
_cell_volume 66.38933525
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni Ni0 1 -0.00000000 -0.00000000 13.38446490 1
Ta Ta1 1 0.00000000 0.00000000 6.54665070 1
Ta Ta2 1 -0.00000000 -0.00000000 20.22227911 1
Ti Ti3 1 -0.00000000 0.00000000 -0.00000000 1
[/CIF]
| NiTa2Ti | R-3m | 166 | trigonal | -3m | 11,717.089072 | false |
[CIF]
data_LaVZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89310743
_cell_length_b 5.89310743
_cell_length_c 5.89310743
_cell_angle_alpha 145.13770489
_cell_angle_beta 145.13770489
_cell_angle_gamma 50.12936032
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaVZn
_chemical_formula_sum 'La1 V1 Zn1'
_cell_volume 66.54355774
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 0.01358389 1
V V1 1 0.00000000 -0.00000000 7.51481694 1
Zn Zn2 1 0.00000000 -0.00000000 3.14790763 1
[/CIF]
| LaVZn | I4mm | 107 | tetragonal | 4mm | 6,368.976486 | false |
[CIF]
data_RuPbCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71450421
_cell_length_b 6.71450421
_cell_length_c 6.71450421
_cell_angle_alpha 151.90164640
_cell_angle_beta 139.23752710
_cell_angle_gamma 50.24073900
_symmetry_Int_Tables_number 1
_chemical_formula_structural RuPbCl2
_chemical_formula_sum 'Ru1 Pb1 Cl2'
_cell_volume 92.68903292
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 2.33842736 5.27053326 1
Cl Cl1 1 -0.00000000 -0.00000000 2.82281098 1
Pb Pb2 1 0.00000000 2.33842736 0.82542243 1
Ru Ru3 1 -0.00000000 0.00000000 9.31953089 1
[/CIF]
| Cl2PbRu | Imm2 | 44 | orthorhombic | mm2 | 6,792.999573 | false |
[CIF]
data_YMo2Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87392511
_cell_length_b 3.87392511
_cell_length_c 4.80803103
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YMo2Os
_chemical_formula_sum 'Y1 Mo2 Os1'
_cell_volume 72.15554368
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mo Mo0 1 0.00000000 1.93696256 2.40401552 1
Mo Mo1 1 1.93696256 0.00000000 2.40401552 1
Os Os2 1 1.93696256 1.93696256 0.00000000 1
Y Y3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Mo2OsY | P4/mmm | 123 | tetragonal | 4/mmm | 10,840.561952 | false |
[CIF]
data_Sn2OsRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.55979293
_cell_length_b 4.55979293
_cell_length_c 5.41467968
_cell_angle_alpha 101.35220477
_cell_angle_beta 101.35220477
_cell_angle_gamma 40.10740924
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sn2OsRu
_chemical_formula_sum 'Sn2 Os1 Ru1'
_cell_volume 70.91671811
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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 3.71603369 -0.00000000 2.64723487 1
Ru Ru1 1 0.00000000 -0.00000000 0.00000000 1
Sn Sn2 1 1.29241581 -0.00000000 3.97108732 1
Sn Sn3 1 6.13965157 -0.00000000 1.32338241 1
[/CIF]
| OsRuSn2 | C2/m | 12 | monoclinic | 2/m | 12,380.158567 | false |
[CIF]
data_KYSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27790743
_cell_length_b 5.27790743
_cell_length_c 7.47519270
_cell_angle_alpha 114.93503534
_cell_angle_beta 114.93503534
_cell_angle_gamma 43.29384753
_symmetry_Int_Tables_number 1
_chemical_formula_structural KYSi2
_chemical_formula_sum 'K1 Y1 Si2'
_cell_volume 127.25899927
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_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
Si Si1 1 6.00801793 0.00000000 2.67495538 1
Si Si2 1 0.41275297 0.00000000 3.98705580 1
Y Y3 1 3.21038545 0.00000000 3.33100559 1
[/CIF]
| KSi2Y | C2/m | 12 | monoclinic | 2/m | 2,403.209466 | false |
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