# 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  0.749901  0.500000  1
  W  W2  1  0.085779  0.878238  0.500000  1
  W  W3  1  -0.000000  0.497847  0.500001  1
  W  W4  1  0.085368  0.621492  0.500000  1
  W  W5  1  0.171046  0.750206  0.500000  1
  W  W6  1  0.251980  0.876057  0.499999  1
  W  W7  1  -0.000000  0.249434  0.500001  1
  W  W8  1  0.083114  0.374376  0.500001  1
  W  W9  1  0.166664  0.498690  0.500001  1
  W  W10  1  0.249672  0.625171  0.500000  1
  W  W11  1  0.334394  0.750640  0.500000  1
  W  W12  1  0.416838  0.875552  0.499999  1
  W  W13  1  -0.000000  -0.000394  0.500000  1
  W  W14  1  0.084105  0.124945  0.500000  1
  W  W15  1  0.167103  0.249108  0.500001  1
  W  W16  1  0.250772  0.374756  0.500001  1
  W  W17  1  0.333203  0.499524  0.500000  1
  W  W18  1  0.417019  0.625398  0.500000  1
  W  W19  1  0.500000  0.749901  0.499999  1
  W  W20  1  0.583162  0.875552  0.499999  1
  W  W21  1  0.167958  0.000600  0.500000  1
  W  W22  1  0.249916  0.125551  0.500000  1
  W  W23  1  0.333562  0.250065  0.500001  1
  W  W24  1  0.415878  0.375162  0.500001  1
  W  W25  1  0.500000  0.500122  0.500000  1
  W  W26  1  0.582981  0.625398  0.500000  1
  W  W27  1  0.665606  0.750640  0.499999  1
  W  W28  1  0.748020  0.876057  0.500000  1
  W  W29  1  0.333830  0.000143  0.500000  1
  W  W30  1  0.417425  0.125909  0.500000  1
  W  W31  1  0.500000  0.249567  0.500001  1
  W  W32  1  0.584122  0.375162  0.500001  1
  W  W33  1  0.666797  0.499524  0.500000  1
  W  W34  1  0.750328  0.625171  0.500000  1
  W  W35  1  0.828954  0.750206  0.500000  1
  W  W36  1  0.914221  0.878238  0.500000  1
  W  W37  1  0.500000  0.000481  0.500000  1
  W  W38  1  0.582575  0.125909  0.500000  1
  W  W39  1  0.666438  0.250065  0.500001  1
  W  W40  1  0.749228  0.374756  0.500001  1
  W  W41  1  0.833336  0.498690  0.500001  1
  W  W42  1  0.914632  0.621492  0.500000  1
  W  W43  1  0.666170  0.000143  0.500000  1
  W  W44  1  0.750084  0.125551  0.500001  1
  W  W45  1  0.832897  0.249108  0.500001  1
  W  W46  1  0.916886  0.374376  0.500001  1
  W  W47  1  0.832042  0.000600  0.500000  1
  W  W48  1  0.915895  0.124945  0.500001  1
  S  S49  1  0.091949  0.796003  0.383966  1
  S  S50  1  0.168883  0.918044  0.388789  1
  S  S51  1  0.083586  0.539238  0.388832  1
  S  S52  1  0.166545  0.666705  0.389838  1
  S  S53  1  0.252343  0.792683  0.388772  1
  S  S54  1  0.334459  0.917363  0.388803  1
  S  S55  1  0.083558  0.290963  0.389653  1
  S  S56  1  0.166965  0.415590  0.389467  1
  S  S57  1  0.249946  0.541532  0.389662  1
  S  S58  1  0.333411  0.666772  0.389595  1
  S  S59  1  0.417335  0.792067  0.389304  1
  S  S60  1  0.500000  0.917200  0.389345  1
  S  S61  1  0.083514  0.041582  0.389623  1
  S  S62  1  0.166821  0.166471  0.388929  1
  S  S63  1  0.250182  0.291423  0.389428  1
  S  S64  1  0.333299  0.416714  0.388981  1
  S  S65  1  0.416564  0.541776  0.389715  1
  S  S66  1  0.500000  0.666781  0.389162  1
  S  S67  1  0.582665  0.792067  0.389304  1
  S  S68  1  0.665541  0.917363  0.388803  1
  S  S69  1  0.250856  0.042351  0.389378  1
  S  S70  1  0.333551  0.166872  0.389419  1
  S  S71  1  0.416865  0.291783  0.389510  1
  S  S72  1  0.500000  0.416561  0.389910  1
  S  S73  1  0.583436  0.541776  0.389715  1
  S  S74  1  0.666589  0.666772  0.389595  1
  S  S75  1  0.747657  0.792683  0.388772  1
  S  S76  1  0.831117  0.918044  0.388789  1
  S  S77  1  0.416883  0.042335  0.389602  1
  S  S78  1  0.500000  0.167052  0.388691  1
  S  S79  1  0.583135  0.291783  0.389510  1
  S  S80  1  0.666701  0.416714  0.388981  1
  S  S81  1  0.750054  0.541532  0.389662  1
  S  S82  1  0.833455  0.666705  0.389838  1
  S  S83  1  0.908051  0.796003  0.383966  1
  S  S84  1  0.000000  0.916528  0.389844  1
  S  S85  1  0.583117  0.042335  0.389601  1
  S  S86  1  0.666449  0.166872  0.389418  1
  S  S87  1  0.749818  0.291423  0.389427  1
  S  S88  1  0.833035  0.415590  0.389467  1
  S  S89  1  0.916414  0.539238  0.388832  1
  S  S90  1  0.000000  0.657964  0.384028  1
  S  S91  1  0.749144  0.042351  0.389378  1
  S  S92  1  0.833179  0.166471  0.388928  1
  S  S93  1  0.916442  0.290963  0.389653  1
  S  S94  1  0.000000  0.415259  0.388877  1
  S  S95  1  0.916486  0.041582  0.389623  1
  S  S96  1  0.000000  0.166122  0.389750  1
  S  S97  1  0.091949  0.796003  0.616035  1
  S  S98  1  0.168883  0.918044  0.611211  1
  S  S99  1  0.083586  0.539238  0.611167  1
  S  S100  1  0.166545  0.666705  0.610162  1
  S  S101  1  0.252342  0.792683  0.611229  1
  S  S102  1  0.334459  0.917363  0.611198  1
  S  S103  1  0.083558  0.290963  0.610346  1
  S  S104  1  0.166965  0.415589  0.610533  1
  S  S105  1  0.249946  0.541532  0.610337  1
  S  S106  1  0.333411  0.666772  0.610406  1
  S  S107  1  0.417335  0.792067  0.610697  1
  S  S108  1  0.500000  0.917200  0.610656  1
  S  S109  1  0.083514  0.041582  0.610377  1
  S  S110  1  0.166821  0.166471  0.611071  1
  S  S111  1  0.250182  0.291423  0.610572  1
  S  S112  1  0.333299  0.416714  0.611019  1
  S  S113  1  0.416564  0.541776  0.610285  1
  S  S114  1  0.500000  0.666781  0.610839  1
  S  S115  1  0.582665  0.792067  0.610697  1
  S  S116  1  0.665541  0.917363  0.611198  1
  S  S117  1  0.250856  0.042351  0.610622  1
  S  S118  1  0.333551  0.166873  0.610581  1
  S  S119  1  0.416865  0.291783  0.610489  1
  S  S120  1  0.500000  0.416561  0.610089  1
  S  S121  1  0.583436  0.541776  0.610285  1
  S  S122  1  0.666589  0.666772  0.610406  1
  S  S123  1  0.747658  0.792683  0.611229  1
  S  S124  1  0.831117  0.918044  0.611211  1
  S  S125  1  0.416883  0.042335  0.610399  1
  S  S126  1  0.500000  0.167052  0.611308  1
  S  S127  1  0.583135  0.291783  0.610489  1
  S  S128  1  0.666701  0.416714  0.611019  1
  S  S129  1  0.750054  0.541532  0.610337  1
  S  S130  1  0.833455  0.666705  0.610162  1
  S  S131  1  0.908051  0.796003  0.616035  1
  S  S132  1  -0.000000  0.916528  0.610156  1
  S  S133  1  0.583117  0.042335  0.610398  1
  S  S134  1  0.666449  0.166873  0.610581  1
  S  S135  1  0.749818  0.291423  0.610572  1
  S  S136  1  0.833035  0.415589  0.610532  1
  S  S137  1  0.916414  0.539238  0.611167  1
  S  S138  1  0.000000  0.657964  0.615972  1
  S  S139  1  0.749144  0.042351  0.610622  1
  S  S140  1  0.833179  0.166471  0.611071  1
  S  S141  1  0.916442  0.290963  0.610346  1
  S  S142  1  -0.000000  0.415259  0.611122  1
  S  S143  1  0.916486  0.041582  0.610377  1
  S  S144  1  -0.000000  0.166122  0.610250  1
