# 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  0.749957  0.500000  1
  W  W2  1  0.085603  0.878338  0.500000  1
  W  W3  1  -0.000000  0.497582  0.500000  1
  W  W4  1  0.085569  0.621547  0.500000  1
  W  W5  1  0.171073  0.749987  0.500000  1
  W  W6  1  0.252234  0.876170  0.500000  1
  W  W7  1  -0.000000  0.249430  0.499999  1
  W  W8  1  0.081789  0.374684  0.499999  1
  W  W9  1  0.166825  0.498621  0.500000  1
  W  W10  1  0.249434  0.625218  0.500000  1
  W  W11  1  0.334448  0.750531  0.500000  1
  W  W12  1  0.416234  0.875900  0.500000  1
  W  W13  1  0.000000  -0.000547  0.499999  1
  W  W14  1  0.084545  0.125454  0.499999  1
  W  W15  1  0.166833  0.248590  0.500000  1
  W  W16  1  0.251835  0.374940  0.499999  1
  W  W17  1  0.333304  0.498872  0.500000  1
  W  W18  1  0.417598  0.625539  0.500000  1
  W  W19  1  0.500000  0.748966  0.500000  1
  W  W20  1  0.583766  0.875900  0.500000  1
  W  W21  1  0.167930  0.000783  0.499999  1
  W  W22  1  0.248956  0.126384  0.499999  1
  W  W23  1  0.333622  0.250066  0.500000  1
  W  W24  1  0.415296  0.375969  0.500000  1
  W  W25  1  0.500000  0.500152  0.500000  1
  W  W26  1  0.582402  0.625539  0.500000  1
  W  W27  1  0.665552  0.750531  0.500000  1
  W  W28  1  0.747766  0.876170  0.500000  1
  W  W29  1  0.334172  -0.000755  0.500000  1
  W  W30  1  0.418597  0.125986  0.500000  1
  W  W31  1  0.500000  0.248539  0.500000  1
  W  W32  1  0.584704  0.375969  0.500000  1
  W  W33  1  0.666696  0.498872  0.500000  1
  W  W34  1  0.750566  0.625218  0.500000  1
  W  W35  1  0.828927  0.749987  0.500000  1
  W  W36  1  0.914397  0.878338  0.500000  1
  W  W37  1  0.500000  0.000456  0.500000  1
  W  W38  1  0.581403  0.125986  0.500000  1
  W  W39  1  0.666378  0.250066  0.500000  1
  W  W40  1  0.748165  0.374940  0.500001  1
  W  W41  1  0.833175  0.498621  0.500000  1
  W  W42  1  0.914431  0.621547  0.500000  1
  W  W43  1  0.665828  -0.000755  0.500001  1
  W  W44  1  0.751044  0.126384  0.500001  1
  W  W45  1  0.833167  0.248590  0.499999  1
  W  W46  1  0.918211  0.374684  0.500000  1
  W  W47  1  0.832070  0.000783  0.500001  1
  W  W48  1  0.915455  0.125454  0.499999  1
  S  S49  1  0.092010  0.796022  0.383932  1
  S  S50  1  0.168837  0.918184  0.388850  1
  S  S51  1  0.083727  0.539213  0.388871  1
  S  S52  1  0.166515  0.666682  0.389548  1
  S  S53  1  0.252374  0.792600  0.388802  1
  S  S54  1  0.334248  0.917112  0.387955  1
  S  S55  1  0.083528  0.291070  0.389563  1
  S  S56  1  0.166875  0.415201  0.389887  1
  S  S57  1  0.250128  0.541428  0.389712  1
  S  S58  1  0.333494  0.666619  0.389661  1
  S  S59  1  0.417522  0.792092  0.389496  1
  S  S60  1  0.500000  0.917101  0.389368  1
  S  S61  1  0.083467  0.041800  0.389698  1
  S  S62  1  0.166498  0.166714  0.387838  1
  S  S63  1  0.250095  0.291389  0.389504  1
  S  S64  1  0.333354  0.416790  0.387816  1
  S  S65  1  0.416546  0.541769  0.389614  1
  S  S66  1  0.500000  0.666483  0.388222  1
  S  S67  1  0.582478  0.792092  0.389496  1
  S  S68  1  0.665752  0.917112  0.387955  1
  S  S69  1  0.251214  0.042615  0.389864  1
  S  S70  1  0.333782  0.166705  0.389627  1
  S  S71  1  0.417086  0.291980  0.389794  1
  S  S72  1  0.500000  0.416605  0.389698  1
  S  S73  1  0.583454  0.541769  0.389614  1
  S  S74  1  0.666506  0.666619  0.389661  1
  S  S75  1  0.747626  0.792600  0.388802  1
  S  S76  1  0.831163  0.918184  0.388849  1
  S  S77  1  0.416835  0.042208  0.389478  1
  S  S78  1  0.500000  0.166955  0.387245  1
  S  S79  1  0.582914  0.291980  0.389794  1
  S  S80  1  0.666646  0.416790  0.387816  1
  S  S81  1  0.749872  0.541428  0.389712  1
  S  S82  1  0.833485  0.666682  0.389548  1
  S  S83  1  0.907990  0.796023  0.383932  1
  S  S84  1  0.000000  0.916539  0.389573  1
  S  S85  1  0.583165  0.042208  0.389478  1
  S  S86  1  0.666218  0.166705  0.389627  1
  S  S87  1  0.749905  0.291389  0.389504  1
  S  S88  1  0.833125  0.415201  0.389888  1
  S  S89  1  0.916272  0.539213  0.388871  1
  S  S90  1  -0.000000  0.657888  0.384042  1
  S  S91  1  0.748786  0.042616  0.389864  1
  S  S92  1  0.833502  0.166714  0.387839  1
  S  S93  1  0.916472  0.291070  0.389563  1
  S  S94  1  -0.000000  0.415760  0.387595  1
  S  S95  1  0.916533  0.041800  0.389697  1
  S  S96  1  -0.000000  0.166206  0.389531  1
  S  S97  1  0.092010  0.796022  0.616068  1
  S  S98  1  0.168837  0.918184  0.611151  1
  S  S99  1  0.083728  0.539213  0.611129  1
  S  S100  1  0.166515  0.666682  0.610452  1
  S  S101  1  0.252375  0.792600  0.611198  1
  S  S102  1  0.334248  0.917112  0.612045  1
  S  S103  1  0.083528  0.291070  0.610438  1
  S  S104  1  0.166875  0.415201  0.610112  1
  S  S105  1  0.250128  0.541428  0.610288  1
  S  S106  1  0.333494  0.666619  0.610339  1
  S  S107  1  0.417522  0.792092  0.610503  1
  S  S108  1  0.500000  0.917101  0.610631  1
  S  S109  1  0.083467  0.041800  0.610303  1
  S  S110  1  0.166498  0.166714  0.612162  1
  S  S111  1  0.250095  0.291389  0.610496  1
  S  S112  1  0.333354  0.416790  0.612184  1
  S  S113  1  0.416546  0.541769  0.610386  1
  S  S114  1  0.500000  0.666483  0.611778  1
  S  S115  1  0.582478  0.792092  0.610503  1
  S  S116  1  0.665752  0.917112  0.612045  1
  S  S117  1  0.251214  0.042615  0.610136  1
  S  S118  1  0.333782  0.166705  0.610373  1
  S  S119  1  0.417086  0.291980  0.610206  1
  S  S120  1  0.500000  0.416605  0.610302  1
  S  S121  1  0.583454  0.541769  0.610386  1
  S  S122  1  0.666506  0.666619  0.610339  1
  S  S123  1  0.747626  0.792600  0.611198  1
  S  S124  1  0.831163  0.918184  0.611151  1
  S  S125  1  0.416835  0.042208  0.610522  1
  S  S126  1  0.500000  0.166955  0.612755  1
  S  S127  1  0.582914  0.291980  0.610206  1
  S  S128  1  0.666646  0.416790  0.612184  1
  S  S129  1  0.749872  0.541428  0.610287  1
  S  S130  1  0.833485  0.666682  0.610452  1
  S  S131  1  0.907990  0.796022  0.616068  1
  S  S132  1  0.000000  0.916539  0.610428  1
  S  S133  1  0.583165  0.042207  0.610522  1
  S  S134  1  0.666218  0.166705  0.610373  1
  S  S135  1  0.749905  0.291389  0.610496  1
  S  S136  1  0.833125  0.415201  0.610113  1
  S  S137  1  0.916273  0.539213  0.611129  1
  S  S138  1  -0.000000  0.657888  0.615958  1
  S  S139  1  0.748786  0.042615  0.610137  1
  S  S140  1  0.833502  0.166714  0.612162  1
  S  S141  1  0.916472  0.291070  0.610438  1
  S  S142  1  0.000000  0.415760  0.612405  1
  S  S143  1  0.916533  0.041800  0.610303  1
  S  S144  1  0.000000  0.166206  0.610469  1
