# 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  0.791556  0.352649  1
  W  W2  1  -0.001650  0.749235  0.494240  1
  W  W3  1  0.083333  0.876754  0.494074  1
  W  W4  1  -0.000106  0.499779  0.500011  1
  W  W5  1  0.083333  0.624633  0.497338  1
  W  W6  1  0.168316  0.749235  0.494240  1
  W  W7  1  0.250432  0.875236  0.497703  1
  W  W8  1  -0.000032  0.250161  0.501427  1
  W  W9  1  0.083333  0.375025  0.501203  1
  W  W10  1  0.166772  0.499779  0.500011  1
  W  W11  1  0.250569  0.624589  0.499149  1
  W  W12  1  0.334023  0.749841  0.499627  1
  W  W13  1  0.416930  0.875070  0.500568  1
  W  W14  1  -0.000175  0.000704  0.498866  1
  W  W15  1  0.083333  0.125432  0.500573  1
  W  W16  1  0.166699  0.250161  0.501427  1
  W  W17  1  0.250067  0.374966  0.501277  1
  W  W18  1  0.333535  0.499813  0.500927  1
  W  W19  1  0.416976  0.624813  0.501082  1
  W  W20  1  0.500200  0.749989  0.501553  1
  W  W21  1  0.583333  0.875048  0.501528  1
  W  W22  1  0.166842  0.000703  0.498866  1
  W  W23  1  0.250142  0.125347  0.500769  1
  W  W24  1  0.333417  0.250122  0.501354  1
  W  W25  1  0.416770  0.374921  0.501487  1
  W  W26  1  0.500091  0.499895  0.501586  1
  W  W27  1  0.583333  0.624902  0.501792  1
  W  W28  1  0.666467  0.749989  0.501553  1
  W  W29  1  0.749737  0.875070  0.500568  1
  W  W30  1  0.333507  0.000248  0.500094  1
  W  W31  1  0.416780  0.125135  0.501104  1
  W  W32  1  0.500016  0.250043  0.501517  1
  W  W33  1  0.583333  0.374972  0.501676  1
  W  W34  1  0.666576  0.499895  0.501586  1
  W  W35  1  0.749691  0.624813  0.501082  1
  W  W36  1  0.832643  0.749841  0.499627  1
  W  W37  1  0.916234  0.875236  0.497703  1
  W  W38  1  0.500035  0.000116  0.501091  1
  W  W39  1  0.583333  0.125072  0.501227  1
  W  W40  1  0.666650  0.250043  0.501517  1
  W  W41  1  0.749896  0.374921  0.501487  1
  W  W42  1  0.833132  0.499813  0.500927  1
  W  W43  1  0.916098  0.624589  0.499149  1
  W  W44  1  0.666631  0.000117  0.501091  1
  W  W45  1  0.749887  0.125135  0.501104  1
  W  W46  1  0.833250  0.250121  0.501355  1
  W  W47  1  0.916600  0.374966  0.501277  1
  W  W48  1  0.833160  0.000248  0.500093  1
  W  W49  1  0.916524  0.125347  0.500769  1
  S  S50  1  0.168342  0.918646  0.386472  1
  S  S51  1  0.083333  0.540533  0.388512  1
  S  S52  1  0.168009  0.664487  0.386495  1
  S  S53  1  0.253004  0.791767  0.386732  1
  S  S54  1  0.334475  0.917084  0.388867  1
  S  S55  1  0.083333  0.291661  0.390771  1
  S  S56  1  0.166757  0.416092  0.390200  1
  S  S57  1  0.250595  0.540785  0.389413  1
  S  S58  1  0.334520  0.666196  0.389312  1
  S  S59  1  0.417789  0.791628  0.389978  1
  S  S60  1  0.500413  0.916741  0.390462  1
  S  S61  1  0.083333  0.042816  0.388798  1
  S  S62  1  0.166781  0.167168  0.390313  1
  S  S63  1  0.250068  0.291631  0.390715  1
  S  S64  1  0.333567  0.416312  0.390612  1
  S  S65  1  0.417098  0.541375  0.390553  1
  S  S66  1  0.500402  0.666551  0.390869  1
  S  S67  1  0.583333  0.791613  0.390953  1
  S  S68  1  0.666254  0.916741  0.390462  1
  S  S69  1  0.250687  0.042528  0.389304  1
  S  S70  1  0.333593  0.166976  0.390428  1
  S  S71  1  0.416809  0.291650  0.390752  1
  S  S72  1  0.500126  0.416537  0.390912  1
  S  S73  1  0.583333  0.541558  0.390981  1
  S  S74  1  0.666264  0.666551  0.390869  1
  S  S75  1  0.748878  0.791628  0.389978  1
  S  S76  1  0.832192  0.917085  0.388867  1
  S  S77  1  0.417113  0.041962  0.390127  1
  S  S78  1  0.500110  0.166833  0.390615  1
  S  S79  1  0.583333  0.291666  0.390946  1
  S  S80  1  0.666540  0.416537  0.390912  1
  S  S81  1  0.749569  0.541375  0.390553  1
  S  S82  1  0.832146  0.666196  0.389312  1
  S  S83  1  0.913663  0.791767  0.386732  1
  S  S84  1  -0.001675  0.918646  0.386472  1
  S  S85  1  0.583333  0.041754  0.390503  1
  S  S86  1  0.666557  0.166833  0.390615  1
  S  S87  1  0.749857  0.291650  0.390752  1
  S  S88  1  0.833099  0.416312  0.390612  1
  S  S89  1  0.916072  0.540785  0.389413  1
  S  S90  1  -0.001342  0.664487  0.386495  1
  S  S91  1  0.749554  0.041963  0.390127  1
  S  S92  1  0.833074  0.166976  0.390428  1
  S  S93  1  0.916599  0.291631  0.390715  1
  S  S94  1  -0.000090  0.416092  0.390200  1
  S  S95  1  0.915980  0.042529  0.389304  1
  S  S96  1  -0.000114  0.167168  0.390313  1
  S  S97  1  0.083333  0.791724  0.600219  1
  S  S98  1  0.166163  0.916311  0.607446  1
  S  S99  1  0.083333  0.542246  0.609639  1
  S  S100  1  0.166385  0.667160  0.607466  1
  S  S101  1  0.249179  0.791584  0.607837  1
  S  S102  1  0.332670  0.916463  0.610092  1
  S  S103  1  0.083333  0.291767  0.612130  1
  S  S104  1  0.166673  0.416899  0.611567  1
  S  S105  1  0.249840  0.541745  0.610746  1
  S  S106  1  0.333030  0.666665  0.610680  1
  S  S107  1  0.416389  0.791721  0.611418  1
  S  S108  1  0.499784  0.916722  0.611801  1
  S  S109  1  0.083333  0.041484  0.610096  1
  S  S110  1  0.166657  0.166586  0.611688  1
  S  S111  1  0.250056  0.291676  0.612086  1
  S  S112  1  0.333357  0.416642  0.611923  1
  S  S113  1  0.416581  0.541567  0.611922  1
  S  S114  1  0.499871  0.666555  0.612250  1
  S  S115  1  0.583333  0.791676  0.612409  1
  S  S116  1  0.666883  0.916722  0.611801  1
  S  S117  1  0.249883  0.041537  0.610617  1
  S  S118  1  0.333355  0.166634  0.611772  1
  S  S119  1  0.416683  0.291588  0.612196  1
  S  S120  1  0.499980  0.416547  0.612299  1
  S  S121  1  0.583333  0.541488  0.612362  1
  S  S122  1  0.666796  0.666555  0.612250  1
  S  S123  1  0.750278  0.791721  0.611417  1
  S  S124  1  0.833997  0.916463  0.610092  1
  S  S125  1  0.416459  0.041584  0.611431  1
  S  S126  1  0.500021  0.166567  0.611985  1
  S  S127  1  0.583333  0.291545  0.612277  1
  S  S128  1  0.666686  0.416547  0.612300  1
  S  S129  1  0.750086  0.541567  0.611922  1
  S  S130  1  0.833637  0.666665  0.610680  1
  S  S131  1  0.917487  0.791584  0.607837  1
  S  S132  1  0.000504  0.916311  0.607446  1
  S  S133  1  0.583333  0.041649  0.611776  1
  S  S134  1  0.666646  0.166567  0.611986  1
  S  S135  1  0.749984  0.291588  0.612196  1
  S  S136  1  0.833310  0.416642  0.611923  1
  S  S137  1  0.916827  0.541745  0.610746  1
  S  S138  1  0.000282  0.667160  0.607466  1
  S  S139  1  0.750208  0.041584  0.611431  1
  S  S140  1  0.833312  0.166634  0.611772  1
  S  S141  1  0.916610  0.291676  0.612086  1
  S  S142  1  -0.000006  0.416899  0.611568  1
  S  S143  1  0.916784  0.041537  0.610617  1
  S  S144  1  0.000010  0.166586  0.611688  1
