# generated using pymatgen
data_GeW47S96
_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   GeW47S96
_chemical_formula_sum   'Ge1 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
  Ge  Ge1  1  -0.000000  0.749915  0.500000  1
  W  W2  1  0.086788  0.878614  0.500000  1
  W  W3  1  -0.000000  0.497893  0.500000  1
  W  W4  1  0.085176  0.620565  0.500000  1
  W  W5  1  0.171857  0.750819  0.500000  1
  W  W6  1  0.251750  0.876113  0.500000  1
  W  W7  1  -0.000000  0.249173  0.500000  1
  W  W8  1  0.083620  0.373564  0.500000  1
  W  W9  1  0.166607  0.498084  0.500000  1
  W  W10  1  0.250088  0.624918  0.500000  1
  W  W11  1  0.334746  0.751073  0.500000  1
  W  W12  1  0.417467  0.875772  0.500000  1
  W  W13  1  0.000000  0.000042  0.500000  1
  W  W14  1  0.083595  0.124820  0.500000  1
  W  W15  1  0.166935  0.249435  0.500000  1
  W  W16  1  0.250283  0.374253  0.500000  1
  W  W17  1  0.333430  0.499751  0.500000  1
  W  W18  1  0.416791  0.625152  0.500000  1
  W  W19  1  0.500000  0.750516  0.500000  1
  W  W20  1  0.582533  0.875772  0.500000  1
  W  W21  1  0.168509  0.000835  0.500000  1
  W  W22  1  0.250663  0.125374  0.500000  1
  W  W23  1  0.333685  0.250011  0.500000  1
  W  W24  1  0.416759  0.374975  0.500000  1
  W  W25  1  0.500000  0.500043  0.500000  1
  W  W26  1  0.583209  0.625152  0.500000  1
  W  W27  1  0.665254  0.751073  0.500000  1
  W  W28  1  0.748250  0.876113  0.500000  1
  W  W29  1  0.334243  0.001013  0.500000  1
  W  W30  1  0.416999  0.125532  0.500000  1
  W  W31  1  0.500000  0.250259  0.500000  1
  W  W32  1  0.583241  0.374975  0.500000  1
  W  W33  1  0.666570  0.499751  0.500000  1
  W  W34  1  0.749912  0.624918  0.500000  1
  W  W35  1  0.828143  0.750819  0.500000  1
  W  W36  1  0.913212  0.878614  0.500000  1
  W  W37  1  0.500000  0.000776  0.500000  1
  W  W38  1  0.583001  0.125532  0.500000  1
  W  W39  1  0.666315  0.250011  0.500000  1
  W  W40  1  0.749717  0.374253  0.500000  1
  W  W41  1  0.833393  0.498084  0.500000  1
  W  W42  1  0.914824  0.620565  0.500000  1
  W  W43  1  0.665757  0.001013  0.500000  1
  W  W44  1  0.749337  0.125374  0.500000  1
  W  W45  1  0.833065  0.249435  0.500000  1
  W  W46  1  0.916380  0.373564  0.500000  1
  W  W47  1  0.831491  0.000835  0.500000  1
  W  W48  1  0.916405  0.124820  0.500000  1
  S  S49  1  0.087065  0.793622  0.392994  1
  S  S50  1  0.169342  0.918467  0.388197  1
  S  S51  1  0.083696  0.538626  0.388313  1
  S  S52  1  0.166715  0.666606  0.390374  1
  S  S53  1  0.252852  0.792983  0.388194  1
  S  S54  1  0.334585  0.917704  0.389193  1
  S  S55  1  0.083441  0.290619  0.389135  1
  S  S56  1  0.166939  0.415243  0.389052  1
  S  S57  1  0.249942  0.541205  0.389613  1
  S  S58  1  0.333590  0.666975  0.389567  1
  S  S59  1  0.417461  0.792388  0.388956  1
  S  S60  1  0.500000  0.917574  0.388904  1
  S  S61  1  0.083784  0.041636  0.389503  1
  S  S62  1  0.166933  0.166382  0.389182  1
  S  S63  1  0.250253  0.291170  0.389172  1
  S  S64  1  0.333411  0.416470  0.389287  1
  S  S65  1  0.416647  0.541727  0.389378  1
  S  S66  1  0.500000  0.666897  0.389354  1
  S  S67  1  0.582539  0.792388  0.388956  1
  S  S68  1  0.665415  0.917704  0.389193  1
  S  S69  1  0.251083  0.042510  0.388913  1
  S  S70  1  0.333770  0.166981  0.389088  1
  S  S71  1  0.416798  0.291819  0.389151  1
  S  S72  1  0.500000  0.416741  0.389277  1
  S  S73  1  0.583353  0.541727  0.389378  1
  S  S74  1  0.666410  0.666975  0.389567  1
  S  S75  1  0.747148  0.792983  0.388194  1
  S  S76  1  0.830658  0.918467  0.388197  1
  S  S77  1  0.417114  0.042453  0.388968  1
  S  S78  1  0.500000  0.167161  0.389046  1
  S  S79  1  0.583202  0.291819  0.389151  1
  S  S80  1  0.666589  0.416470  0.389287  1
  S  S81  1  0.750058  0.541205  0.389613  1
  S  S82  1  0.833285  0.666606  0.390374  1
  S  S83  1  0.912935  0.793622  0.392994  1
  S  S84  1  -0.000000  0.916707  0.390360  1
  S  S85  1  0.582886  0.042453  0.388969  1
  S  S86  1  0.666230  0.166981  0.389088  1
  S  S87  1  0.749747  0.291170  0.389172  1
  S  S88  1  0.833061  0.415243  0.389052  1
  S  S89  1  0.916304  0.538626  0.388313  1
  S  S90  1  0.000000  0.662844  0.393015  1
  S  S91  1  0.748917  0.042510  0.388913  1
  S  S92  1  0.833067  0.166382  0.389182  1
  S  S93  1  0.916559  0.290619  0.389135  1
  S  S94  1  0.000000  0.414868  0.389309  1
  S  S95  1  0.916216  0.041636  0.389503  1
  S  S96  1  -0.000000  0.166068  0.389264  1
  S  S97  1  0.087065  0.793622  0.607006  1
  S  S98  1  0.169342  0.918467  0.611803  1
  S  S99  1  0.083696  0.538626  0.611687  1
  S  S100  1  0.166715  0.666606  0.609626  1
  S  S101  1  0.252852  0.792983  0.611806  1
  S  S102  1  0.334585  0.917704  0.610807  1
  S  S103  1  0.083441  0.290619  0.610865  1
  S  S104  1  0.166939  0.415243  0.610948  1
  S  S105  1  0.249942  0.541205  0.610387  1
  S  S106  1  0.333590  0.666975  0.610433  1
  S  S107  1  0.417461  0.792388  0.611044  1
  S  S108  1  0.500000  0.917574  0.611096  1
  S  S109  1  0.083784  0.041636  0.610497  1
  S  S110  1  0.166933  0.166382  0.610818  1
  S  S111  1  0.250253  0.291170  0.610828  1
  S  S112  1  0.333411  0.416470  0.610713  1
  S  S113  1  0.416647  0.541727  0.610622  1
  S  S114  1  0.500000  0.666897  0.610646  1
  S  S115  1  0.582539  0.792388  0.611044  1
  S  S116  1  0.665415  0.917704  0.610807  1
  S  S117  1  0.251083  0.042510  0.611087  1
  S  S118  1  0.333770  0.166981  0.610912  1
  S  S119  1  0.416798  0.291819  0.610849  1
  S  S120  1  0.500000  0.416741  0.610723  1
  S  S121  1  0.583353  0.541727  0.610622  1
  S  S122  1  0.666410  0.666975  0.610433  1
  S  S123  1  0.747148  0.792983  0.611806  1
  S  S124  1  0.830658  0.918467  0.611803  1
  S  S125  1  0.417114  0.042453  0.611032  1
  S  S126  1  0.500000  0.167161  0.610954  1
  S  S127  1  0.583202  0.291819  0.610849  1
  S  S128  1  0.666589  0.416470  0.610713  1
  S  S129  1  0.750058  0.541205  0.610387  1
  S  S130  1  0.833285  0.666606  0.609626  1
  S  S131  1  0.912935  0.793622  0.607006  1
  S  S132  1  0.000000  0.916707  0.609640  1
  S  S133  1  0.582886  0.042453  0.611032  1
  S  S134  1  0.666230  0.166981  0.610912  1
  S  S135  1  0.749747  0.291170  0.610828  1
  S  S136  1  0.833061  0.415243  0.610948  1
  S  S137  1  0.916304  0.538626  0.611687  1
  S  S138  1  0.000000  0.662844  0.606985  1
  S  S139  1  0.748917  0.042510  0.611087  1
  S  S140  1  0.833067  0.166382  0.610818  1
  S  S141  1  0.916559  0.290619  0.610865  1
  S  S142  1  0.000000  0.414868  0.610692  1
  S  S143  1  0.916216  0.041636  0.610497  1
  S  S144  1  0.000000  0.166068  0.610737  1
