# generated using pymatgen
data_TeW48S95
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.14455100
_cell_length_b   22.10622300
_cell_length_c   14.20054100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeW48S95
_chemical_formula_sum   'Te1 W48 S95'
_cell_volume   6009.86369232
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Te  Te1  1  0.083334  0.791610  0.353039  1
  W  W2  1  -0.001714  0.749144  0.494025  1
  W  W3  1  0.083333  0.876756  0.493886  1
  W  W4  1  -0.000147  0.499778  0.499958  1
  W  W5  1  0.083333  0.624532  0.497241  1
  W  W6  1  0.168381  0.749144  0.494026  1
  W  W7  1  0.250461  0.875228  0.497450  1
  W  W8  1  -0.000014  0.250111  0.501193  1
  W  W9  1  0.083333  0.374962  0.500954  1
  W  W10  1  0.166814  0.499777  0.499958  1
  W  W11  1  0.250521  0.624533  0.499111  1
  W  W12  1  0.334045  0.749835  0.499350  1
  W  W13  1  0.416906  0.875029  0.500257  1
  W  W14  1  -0.000191  0.000663  0.498792  1
  W  W15  1  0.083333  0.125417  0.500332  1
  W  W16  1  0.166680  0.250111  0.501193  1
  W  W17  1  0.250062  0.374975  0.501319  1
  W  W18  1  0.333511  0.499727  0.501081  1
  W  W19  1  0.416995  0.624804  0.500956  1
  W  W20  1  0.500192  0.749972  0.501250  1
  W  W21  1  0.583333  0.875032  0.501243  1
  W  W22  1  0.166857  0.000662  0.498792  1
  W  W23  1  0.250196  0.125274  0.500747  1
  W  W24  1  0.333414  0.250088  0.501643  1
  W  W25  1  0.416784  0.374919  0.501972  1
  W  W26  1  0.500044  0.499892  0.501839  1
  W  W27  1  0.583333  0.624855  0.501635  1
  W  W28  1  0.666475  0.749972  0.501250  1
  W  W29  1  0.749761  0.875029  0.500257  1
  W  W30  1  0.333503  0.000236  0.500001  1
  W  W31  1  0.416716  0.125076  0.501346  1
  W  W32  1  0.500052  0.250021  0.502115  1
  W  W33  1  0.583333  0.374893  0.502293  1
  W  W34  1  0.666622  0.499892  0.501839  1
  W  W35  1  0.749672  0.624804  0.500956  1
  W  W36  1  0.832621  0.749835  0.499350  1
  W  W37  1  0.916205  0.875228  0.497450  1
  W  W38  1  0.500086  0.000064  0.501001  1
  W  W39  1  0.583333  0.125063  0.501612  1
  W  W40  1  0.666614  0.250021  0.502115  1
  W  W41  1  0.749883  0.374919  0.501972  1
  W  W42  1  0.833156  0.499727  0.501082  1
  W  W43  1  0.916145  0.624533  0.499111  1
  W  W44  1  0.666580  0.000064  0.501001  1
  W  W45  1  0.749951  0.125076  0.501346  1
  W  W46  1  0.833253  0.250088  0.501643  1
  W  W47  1  0.916604  0.374975  0.501320  1
  W  W48  1  0.833164  0.000235  0.500001  1
  W  W49  1  0.916470  0.125274  0.500747  1
  S  S50  1  0.168372  0.918753  0.386145  1
  S  S51  1  0.083333  0.540470  0.388279  1
  S  S52  1  0.168047  0.664368  0.386208  1
  S  S53  1  0.253031  0.791796  0.386369  1
  S  S54  1  0.334526  0.917194  0.388490  1
  S  S55  1  0.083333  0.291668  0.390356  1
  S  S56  1  0.166840  0.416137  0.389988  1
  S  S57  1  0.250673  0.540736  0.389274  1
  S  S58  1  0.334467  0.666146  0.389039  1
  S  S59  1  0.417814  0.791658  0.389533  1
  S  S60  1  0.500423  0.916823  0.390111  1
  S  S61  1  0.083333  0.042764  0.388512  1
  S  S62  1  0.166869  0.167132  0.390020  1
  S  S63  1  0.250233  0.291667  0.390667  1
  S  S64  1  0.333703  0.416313  0.390726  1
  S  S65  1  0.417102  0.541295  0.390548  1
  S  S66  1  0.500390  0.666513  0.390556  1
  S  S67  1  0.583333  0.791633  0.390544  1
  S  S68  1  0.666243  0.916823  0.390111  1
  S  S69  1  0.250712  0.042577  0.389082  1
  S  S70  1  0.333675  0.167046  0.390506  1
  S  S71  1  0.416908  0.291689  0.391188  1
  S  S72  1  0.500179  0.416469  0.391307  1
  S  S73  1  0.583333  0.541446  0.391009  1
  S  S74  1  0.666277  0.666513  0.390556  1
  S  S75  1  0.748853  0.791658  0.389533  1
  S  S76  1  0.832141  0.917194  0.388489  1
  S  S77  1  0.417138  0.042066  0.390039  1
  S  S78  1  0.500132  0.166939  0.390981  1
  S  S79  1  0.583333  0.291699  0.391438  1
  S  S80  1  0.666487  0.416469  0.391307  1
  S  S81  1  0.749564  0.541295  0.390548  1
  S  S82  1  0.832200  0.666146  0.389039  1
  S  S83  1  0.913635  0.791796  0.386368  1
  S  S84  1  -0.001705  0.918753  0.386145  1
  S  S85  1  0.583333  0.041931  0.390446  1
  S  S86  1  0.666535  0.166939  0.390981  1
  S  S87  1  0.749758  0.291689  0.391188  1
  S  S88  1  0.832964  0.416313  0.390726  1
  S  S89  1  0.915994  0.540736  0.389274  1
  S  S90  1  -0.001380  0.664368  0.386208  1
  S  S91  1  0.749528  0.042066  0.390040  1
  S  S92  1  0.832992  0.167046  0.390507  1
  S  S93  1  0.916433  0.291667  0.390667  1
  S  S94  1  -0.000173  0.416137  0.389988  1
  S  S95  1  0.915955  0.042577  0.389082  1
  S  S96  1  -0.000202  0.167132  0.390020  1
  S  S97  1  0.083333  0.791705  0.600197  1
  S  S98  1  0.166202  0.916292  0.607425  1
  S  S99  1  0.083333  0.542261  0.609758  1
  S  S100  1  0.166350  0.667181  0.607513  1
  S  S101  1  0.249227  0.791619  0.607711  1
  S  S102  1  0.332677  0.916433  0.610011  1
  S  S103  1  0.083333  0.291778  0.611921  1
  S  S104  1  0.166568  0.416919  0.611558  1
  S  S105  1  0.249770  0.541792  0.610911  1
  S  S106  1  0.333028  0.666738  0.610620  1
  S  S107  1  0.416377  0.791759  0.611233  1
  S  S108  1  0.499768  0.916662  0.611678  1
  S  S109  1  0.083334  0.041513  0.610061  1
  S  S110  1  0.166607  0.166601  0.611569  1
  S  S111  1  0.249888  0.291706  0.612192  1
  S  S112  1  0.333207  0.416709  0.612316  1
  S  S113  1  0.416504  0.541693  0.612125  1
  S  S114  1  0.499868  0.666654  0.612150  1
  S  S115  1  0.583333  0.791706  0.612198  1
  S  S116  1  0.666899  0.916662  0.611678  1
  S  S117  1  0.249890  0.041515  0.610706  1
  S  S118  1  0.333248  0.166586  0.612085  1
  S  S119  1  0.416584  0.291610  0.612779  1
  S  S120  1  0.499950  0.416675  0.612874  1
  S  S121  1  0.583333  0.541645  0.612589  1
  S  S122  1  0.666799  0.666654  0.612150  1
  S  S123  1  0.750290  0.791759  0.611233  1
  S  S124  1  0.833989  0.916433  0.610011  1
  S  S125  1  0.416457  0.041484  0.611571  1
  S  S126  1  0.499953  0.166484  0.612494  1
  S  S127  1  0.583333  0.291573  0.613073  1
  S  S128  1  0.666716  0.416675  0.612874  1
  S  S129  1  0.750162  0.541693  0.612125  1
  S  S130  1  0.833639  0.666738  0.610620  1
  S  S131  1  0.917439  0.791619  0.607710  1
  S  S132  1  0.000465  0.916292  0.607426  1
  S  S133  1  0.583333  0.041529  0.611976  1
  S  S134  1  0.666713  0.166484  0.612494  1
  S  S135  1  0.750083  0.291610  0.612779  1
  S  S136  1  0.833459  0.416709  0.612316  1
  S  S137  1  0.916897  0.541792  0.610911  1
  S  S138  1  0.000317  0.667182  0.607512  1
  S  S139  1  0.750209  0.041484  0.611571  1
  S  S140  1  0.833419  0.166586  0.612085  1
  S  S141  1  0.916779  0.291706  0.612192  1
  S  S142  1  0.000099  0.416919  0.611558  1
  S  S143  1  0.916777  0.041515  0.610706  1
  S  S144  1  0.000059  0.166601  0.611569  1
