# generated using pymatgen
data_TeW47S96
_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   TeW47S96
_chemical_formula_sum   'Te1 W47 S96'
_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  0.000000  0.749833  0.500000  1
  W  W2  1  0.086167  0.877925  0.500000  1
  W  W3  1  0.000000  0.497926  0.500000  1
  W  W4  1  0.084811  0.621347  0.500000  1
  W  W5  1  0.170890  0.750721  0.500000  1
  W  W6  1  0.251802  0.876087  0.500000  1
  W  W7  1  0.000000  0.249307  0.499999  1
  W  W8  1  0.083503  0.373768  0.500000  1
  W  W9  1  0.166795  0.498475  0.500000  1
  W  W10  1  0.250133  0.624930  0.500000  1
  W  W11  1  0.334545  0.750714  0.500000  1
  W  W12  1  0.417322  0.875705  0.500000  1
  W  W13  1  0.000000  0.000084  0.500000  1
  W  W14  1  0.083525  0.124867  0.500000  1
  W  W15  1  0.166895  0.249511  0.500000  1
  W  W16  1  0.250275  0.374358  0.500000  1
  W  W17  1  0.333433  0.499813  0.500000  1
  W  W18  1  0.416784  0.625107  0.500000  1
  W  W19  1  0.500000  0.750386  0.500001  1
  W  W20  1  0.582678  0.875705  0.500000  1
  W  W21  1  0.168038  0.000785  0.500000  1
  W  W22  1  0.250534  0.125351  0.500000  1
  W  W23  1  0.333611  0.250003  0.500000  1
  W  W24  1  0.416746  0.374992  0.500000  1
  W  W25  1  0.500000  0.500049  0.500000  1
  W  W26  1  0.583216  0.625107  0.500000  1
  W  W27  1  0.665455  0.750714  0.500000  1
  W  W28  1  0.748198  0.876087  0.500000  1
  W  W29  1  0.334169  0.000813  0.500000  1
  W  W30  1  0.416943  0.125474  0.500000  1
  W  W31  1  0.500000  0.250218  0.500000  1
  W  W32  1  0.583254  0.374992  0.500000  1
  W  W33  1  0.666567  0.499813  0.500000  1
  W  W34  1  0.749867  0.624930  0.500000  1
  W  W35  1  0.829111  0.750721  0.500000  1
  W  W36  1  0.913833  0.877925  0.500000  1
  W  W37  1  0.500000  0.000664  0.500000  1
  W  W38  1  0.583057  0.125474  0.500000  1
  W  W39  1  0.666389  0.250003  0.500000  1
  W  W40  1  0.749725  0.374358  0.500000  1
  W  W41  1  0.833205  0.498475  0.500000  1
  W  W42  1  0.915189  0.621347  0.500000  1
  W  W43  1  0.665831  0.000813  0.500000  1
  W  W44  1  0.749466  0.125351  0.500000  1
  W  W45  1  0.833105  0.249511  0.500000  1
  W  W46  1  0.916497  0.373768  0.500000  1
  W  W47  1  0.831962  0.000785  0.500000  1
  W  W48  1  0.916475  0.124867  0.500000  1
  S  S49  1  0.091892  0.796007  0.383657  1
  S  S50  1  0.168917  0.918182  0.388668  1
  S  S51  1  0.083653  0.539098  0.388750  1
  S  S52  1  0.166566  0.666709  0.390277  1
  S  S53  1  0.252454  0.792755  0.388673  1
  S  S54  1  0.334555  0.917624  0.388983  1
  S  S55  1  0.083431  0.290763  0.389175  1
  S  S56  1  0.166882  0.415500  0.389189  1
  S  S57  1  0.250008  0.541378  0.389491  1
  S  S58  1  0.333528  0.666845  0.389454  1
  S  S59  1  0.417299  0.792260  0.389108  1
  S  S60  1  0.500000  0.917435  0.389002  1
  S  S61  1  0.083607  0.041652  0.389405  1
  S  S62  1  0.166868  0.166429  0.389201  1
  S  S63  1  0.250202  0.291242  0.389188  1
  S  S64  1  0.333404  0.416514  0.389301  1
  S  S65  1  0.416659  0.541727  0.389369  1
  S  S66  1  0.500000  0.666856  0.389343  1
  S  S67  1  0.582701  0.792260  0.389108  1
  S  S68  1  0.665445  0.917624  0.388983  1
  S  S69  1  0.250893  0.042345  0.389083  1
  S  S70  1  0.333681  0.166930  0.389119  1
  S  S71  1  0.416765  0.291800  0.389189  1
  S  S72  1  0.500000  0.416747  0.389285  1
  S  S73  1  0.583341  0.541727  0.389369  1
  S  S74  1  0.666472  0.666845  0.389454  1
  S  S75  1  0.747546  0.792755  0.388673  1
  S  S76  1  0.831083  0.918182  0.388668  1
  S  S77  1  0.417061  0.042352  0.389038  1
  S  S78  1  0.500000  0.167096  0.389084  1
  S  S79  1  0.583235  0.291800  0.389189  1
  S  S80  1  0.666596  0.416514  0.389301  1
  S  S81  1  0.749992  0.541378  0.389491  1
  S  S82  1  0.833434  0.666709  0.390277  1
  S  S83  1  0.908108  0.796007  0.383657  1
  S  S84  1  0.000000  0.916552  0.390252  1
  S  S85  1  0.582939  0.042352  0.389039  1
  S  S86  1  0.666319  0.166930  0.389119  1
  S  S87  1  0.749798  0.291242  0.389188  1
  S  S88  1  0.833118  0.415500  0.389189  1
  S  S89  1  0.916347  0.539098  0.388750  1
  S  S90  1  -0.000000  0.657956  0.383660  1
  S  S91  1  0.749107  0.042345  0.389083  1
  S  S92  1  0.833132  0.166429  0.389201  1
  S  S93  1  0.916569  0.290763  0.389175  1
  S  S94  1  0.000000  0.414991  0.389092  1
  S  S95  1  0.916393  0.041652  0.389405  1
  S  S96  1  0.000000  0.166180  0.389268  1
  S  S97  1  0.091892  0.796007  0.616343  1
  S  S98  1  0.168917  0.918182  0.611332  1
  S  S99  1  0.083653  0.539098  0.611250  1
  S  S100  1  0.166566  0.666709  0.609723  1
  S  S101  1  0.252454  0.792755  0.611327  1
  S  S102  1  0.334555  0.917624  0.611017  1
  S  S103  1  0.083431  0.290763  0.610824  1
  S  S104  1  0.166882  0.415500  0.610811  1
  S  S105  1  0.250008  0.541378  0.610509  1
  S  S106  1  0.333528  0.666845  0.610546  1
  S  S107  1  0.417298  0.792260  0.610893  1
  S  S108  1  0.500000  0.917435  0.610998  1
  S  S109  1  0.083607  0.041652  0.610595  1
  S  S110  1  0.166868  0.166429  0.610799  1
  S  S111  1  0.250202  0.291242  0.610812  1
  S  S112  1  0.333404  0.416514  0.610699  1
  S  S113  1  0.416659  0.541727  0.610631  1
  S  S114  1  0.500000  0.666856  0.610658  1
  S  S115  1  0.582702  0.792260  0.610894  1
  S  S116  1  0.665445  0.917624  0.611017  1
  S  S117  1  0.250893  0.042345  0.610917  1
  S  S118  1  0.333681  0.166930  0.610881  1
  S  S119  1  0.416765  0.291800  0.610811  1
  S  S120  1  0.500000  0.416747  0.610715  1
  S  S121  1  0.583341  0.541727  0.610631  1
  S  S122  1  0.666472  0.666844  0.610546  1
  S  S123  1  0.747546  0.792755  0.611327  1
  S  S124  1  0.831083  0.918182  0.611332  1
  S  S125  1  0.417061  0.042352  0.610962  1
  S  S126  1  0.500000  0.167096  0.610917  1
  S  S127  1  0.583235  0.291800  0.610811  1
  S  S128  1  0.666596  0.416514  0.610699  1
  S  S129  1  0.749992  0.541378  0.610509  1
  S  S130  1  0.833434  0.666709  0.609723  1
  S  S131  1  0.908108  0.796007  0.616343  1
  S  S132  1  -0.000000  0.916552  0.609748  1
  S  S133  1  0.582939  0.042352  0.610962  1
  S  S134  1  0.666319  0.166930  0.610881  1
  S  S135  1  0.749798  0.291242  0.610811  1
  S  S136  1  0.833118  0.415500  0.610810  1
  S  S137  1  0.916347  0.539098  0.611249  1
  S  S138  1  -0.000000  0.657956  0.616340  1
  S  S139  1  0.749107  0.042345  0.610917  1
  S  S140  1  0.833132  0.166429  0.610799  1
  S  S141  1  0.916569  0.290763  0.610824  1
  S  S142  1  -0.000000  0.414991  0.610908  1
  S  S143  1  0.916393  0.041652  0.610595  1
  S  S144  1  0.000000  0.166180  0.610731  1
