# 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  0.083333  0.791658  0.354497  1
  W  W2  1  -0.001755  0.749124  0.494841  1
  W  W3  1  0.083333  0.876806  0.494737  1
  W  W4  1  -0.000105  0.499732  0.500201  1
  W  W5  1  0.083333  0.624531  0.497733  1
  W  W6  1  0.168422  0.749124  0.494841  1
  W  W7  1  0.250454  0.875260  0.497960  1
  W  W8  1  -0.000040  0.250113  0.501158  1
  W  W9  1  0.083333  0.374930  0.501021  1
  W  W10  1  0.166772  0.499731  0.500201  1
  W  W11  1  0.250515  0.624481  0.499576  1
  W  W12  1  0.334058  0.749862  0.499864  1
  W  W13  1  0.416917  0.875072  0.500578  1
  W  W14  1  -0.000244  0.000684  0.499423  1
  W  W15  1  0.083333  0.125352  0.500682  1
  W  W16  1  0.166707  0.250113  0.501159  1
  W  W17  1  0.250085  0.374930  0.501064  1
  W  W18  1  0.333536  0.499735  0.500914  1
  W  W19  1  0.416942  0.624804  0.501019  1
  W  W20  1  0.500206  0.749961  0.501440  1
  W  W21  1  0.583333  0.875056  0.501376  1
  W  W22  1  0.166911  0.000684  0.499424  1
  W  W23  1  0.250169  0.125293  0.500806  1
  W  W24  1  0.333428  0.250072  0.501050  1
  W  W25  1  0.416769  0.374901  0.501106  1
  W  W26  1  0.500081  0.499855  0.501251  1
  W  W27  1  0.583333  0.624875  0.501526  1
  W  W28  1  0.666461  0.749961  0.501440  1
  W  W29  1  0.749750  0.875072  0.500579  1
  W  W30  1  0.333552  0.000232  0.500238  1
  W  W31  1  0.416766  0.125101  0.500913  1
  W  W32  1  0.500054  0.249995  0.501029  1
  W  W33  1  0.583333  0.374912  0.501161  1
  W  W34  1  0.666586  0.499855  0.501251  1
  W  W35  1  0.749724  0.624804  0.501019  1
  W  W36  1  0.832609  0.749862  0.499864  1
  W  W37  1  0.916213  0.875260  0.497961  1
  W  W38  1  0.500089  0.000091  0.500959  1
  W  W39  1  0.583333  0.125056  0.500918  1
  W  W40  1  0.666612  0.249995  0.501029  1
  W  W41  1  0.749898  0.374901  0.501106  1
  W  W42  1  0.833131  0.499735  0.500913  1
  W  W43  1  0.916151  0.624481  0.499576  1
  W  W44  1  0.666578  0.000091  0.500959  1
  W  W45  1  0.749901  0.125101  0.500913  1
  W  W46  1  0.833238  0.250072  0.501050  1
  W  W47  1  0.916582  0.374930  0.501063  1
  W  W48  1  0.833115  0.000232  0.500238  1
  W  W49  1  0.916498  0.125293  0.500806  1
  S  S50  1  0.168321  0.918746  0.386795  1
  S  S51  1  0.083333  0.540522  0.388586  1
  S  S52  1  0.168012  0.664440  0.386795  1
  S  S53  1  0.252954  0.791816  0.386990  1
  S  S54  1  0.334486  0.917178  0.388827  1
  S  S55  1  0.083333  0.291653  0.390321  1
  S  S56  1  0.166748  0.416219  0.389965  1
  S  S57  1  0.250540  0.540853  0.389425  1
  S  S58  1  0.334320  0.666238  0.389387  1
  S  S59  1  0.417706  0.791669  0.389873  1
  S  S60  1  0.500386  0.916752  0.390195  1
  S  S61  1  0.083333  0.042648  0.389065  1
  S  S62  1  0.166774  0.167051  0.390109  1
  S  S63  1  0.250055  0.291665  0.390290  1
  S  S64  1  0.333506  0.416406  0.390207  1
  S  S65  1  0.416980  0.541437  0.390267  1
  S  S66  1  0.500332  0.666604  0.390589  1
  S  S67  1  0.583333  0.791668  0.390675  1
  S  S68  1  0.666281  0.916752  0.390195  1
  S  S69  1  0.250604  0.042464  0.389349  1
  S  S70  1  0.333539  0.166914  0.390098  1
  S  S71  1  0.416758  0.291673  0.390216  1
  S  S72  1  0.500079  0.416600  0.390335  1
  S  S73  1  0.583333  0.541618  0.390544  1
  S  S74  1  0.666335  0.666604  0.390589  1
  S  S75  1  0.748961  0.791669  0.389873  1
  S  S76  1  0.832181  0.917178  0.388828  1
  S  S77  1  0.417062  0.041915  0.389885  1
  S  S78  1  0.500070  0.166759  0.390117  1
  S  S79  1  0.583333  0.291676  0.390231  1
  S  S80  1  0.666588  0.416600  0.390335  1
  S  S81  1  0.749686  0.541437  0.390267  1
  S  S82  1  0.832346  0.666238  0.389387  1
  S  S83  1  0.913713  0.791816  0.386990  1
  S  S84  1  -0.001654  0.918746  0.386794  1
  S  S85  1  0.583333  0.041750  0.390108  1
  S  S86  1  0.666596  0.166759  0.390117  1
  S  S87  1  0.749908  0.291673  0.390216  1
  S  S88  1  0.833160  0.416406  0.390207  1
  S  S89  1  0.916127  0.540853  0.389424  1
  S  S90  1  -0.001345  0.664439  0.386795  1
  S  S91  1  0.749604  0.041915  0.389884  1
  S  S92  1  0.833127  0.166913  0.390098  1
  S  S93  1  0.916612  0.291665  0.390290  1
  S  S94  1  -0.000081  0.416218  0.389964  1
  S  S95  1  0.916062  0.042464  0.389349  1
  S  S96  1  -0.000107  0.167051  0.390109  1
  S  S97  1  0.083333  0.791710  0.601244  1
  S  S98  1  0.166291  0.916332  0.608126  1
  S  S99  1  0.083333  0.542129  0.610155  1
  S  S100  1  0.166369  0.667082  0.608124  1
  S  S101  1  0.249310  0.791654  0.608322  1
  S  S102  1  0.332786  0.916535  0.610428  1
  S  S103  1  0.083333  0.291736  0.611986  1
  S  S104  1  0.166670  0.416789  0.611628  1
  S  S105  1  0.249916  0.541621  0.611134  1
  S  S106  1  0.333157  0.666639  0.611017  1
  S  S107  1  0.416490  0.791766  0.611593  1
  S  S108  1  0.499833  0.916786  0.611884  1
  S  S109  1  0.083333  0.041610  0.610689  1
  S  S110  1  0.166709  0.166698  0.611759  1
  S  S111  1  0.250093  0.291684  0.611945  1
  S  S112  1  0.333413  0.416561  0.611888  1
  S  S113  1  0.416661  0.541525  0.611935  1
  S  S114  1  0.499950  0.666556  0.612260  1
  S  S115  1  0.583333  0.791733  0.612407  1
  S  S116  1  0.666833  0.916786  0.611884  1
  S  S117  1  0.250018  0.041666  0.611060  1
  S  S118  1  0.333445  0.166729  0.611778  1
  S  S119  1  0.416762  0.291614  0.611902  1
  S  S120  1  0.500044  0.416528  0.611999  1
  S  S121  1  0.583333  0.541464  0.612219  1
  S  S122  1  0.666717  0.666556  0.612260  1
  S  S123  1  0.750177  0.791765  0.611593  1
  S  S124  1  0.833881  0.916535  0.610428  1
  S  S125  1  0.416590  0.041676  0.611560  1
  S  S126  1  0.500049  0.166661  0.611774  1
  S  S127  1  0.583333  0.291592  0.611882  1
  S  S128  1  0.666623  0.416528  0.611999  1
  S  S129  1  0.750006  0.541525  0.611935  1
  S  S130  1  0.833510  0.666639  0.611017  1
  S  S131  1  0.917356  0.791655  0.608322  1
  S  S132  1  0.000375  0.916332  0.608126  1
  S  S133  1  0.583333  0.041755  0.611795  1
  S  S134  1  0.666618  0.166661  0.611774  1
  S  S135  1  0.749905  0.291614  0.611902  1
  S  S136  1  0.833253  0.416561  0.611888  1
  S  S137  1  0.916751  0.541621  0.611133  1
  S  S138  1  0.000298  0.667082  0.608124  1
  S  S139  1  0.750077  0.041676  0.611560  1
  S  S140  1  0.833221  0.166729  0.611778  1
  S  S141  1  0.916574  0.291683  0.611945  1
  S  S142  1  -0.000003  0.416789  0.611628  1
  S  S143  1  0.916649  0.041666  0.611060  1
  S  S144  1  -0.000042  0.166698  0.611759  1
