# generated using pymatgen
data_GaW48S95
_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   GaW48S95
_chemical_formula_sum   'Ga1 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
  Ga  Ga1  1  0.083352  0.794950  0.383366  1
  W  W2  1  -0.002040  0.745988  0.501188  1
  W  W3  1  0.083320  0.880743  0.499457  1
  W  W4  1  -0.000281  0.499315  0.500420  1
  W  W5  1  0.083338  0.624377  0.500928  1
  W  W6  1  0.168709  0.745974  0.501178  1
  W  W7  1  0.249224  0.875539  0.499226  1
  W  W8  1  -0.000117  0.250174  0.500125  1
  W  W9  1  0.083333  0.374806  0.500114  1
  W  W10  1  0.166949  0.499313  0.500421  1
  W  W11  1  0.250103  0.623967  0.500403  1
  W  W12  1  0.333532  0.750027  0.499897  1
  W  W13  1  0.416723  0.874910  0.499768  1
  W  W14  1  -0.000675  0.001349  0.500614  1
  W  W15  1  0.083333  0.125715  0.500506  1
  W  W16  1  0.166783  0.250173  0.500125  1
  W  W17  1  0.250152  0.374805  0.500019  1
  W  W18  1  0.333616  0.499628  0.500103  1
  W  W19  1  0.416814  0.624791  0.500034  1
  W  W20  1  0.499949  0.749989  0.499839  1
  W  W21  1  0.583332  0.875024  0.499885  1
  W  W22  1  0.167338  0.001347  0.500612  1
  W  W23  1  0.250307  0.125531  0.500281  1
  W  W24  1  0.333546  0.250132  0.500014  1
  W  W25  1  0.416851  0.374882  0.499968  1
  W  W26  1  0.500069  0.499889  0.500012  1
  W  W27  1  0.583334  0.624965  0.499969  1
  W  W28  1  0.666718  0.749989  0.499838  1
  W  W29  1  0.749941  0.874911  0.499769  1
  W  W30  1  0.333513  0.000370  0.500054  1
  W  W31  1  0.416842  0.125099  0.500051  1
  W  W32  1  0.500075  0.250001  0.499987  1
  W  W33  1  0.583334  0.374952  0.499986  1
  W  W34  1  0.666599  0.499890  0.500011  1
  W  W35  1  0.749855  0.624792  0.500032  1
  W  W36  1  0.833138  0.750030  0.499896  1
  W  W37  1  0.917440  0.875545  0.499234  1
  W  W38  1  0.500022  0.000032  0.499969  1
  W  W39  1  0.583333  0.125053  0.499999  1
  W  W40  1  0.666591  0.250001  0.499987  1
  W  W41  1  0.749817  0.374883  0.499968  1
  W  W42  1  0.833052  0.499630  0.500102  1
  W  W43  1  0.916568  0.623971  0.500400  1
  W  W44  1  0.666643  0.000032  0.499969  1
  W  W45  1  0.749824  0.125100  0.500051  1
  W  W46  1  0.833120  0.250133  0.500014  1
  W  W47  1  0.916515  0.374806  0.500019  1
  W  W48  1  0.833151  0.000372  0.500057  1
  W  W49  1  0.916359  0.125533  0.500281  1
  S  S50  1  0.167564  0.919146  0.387955  1
  S  S51  1  0.083334  0.540957  0.390144  1
  S  S52  1  0.166421  0.664637  0.388750  1
  S  S53  1  0.249272  0.791261  0.389309  1
  S  S54  1  0.333358  0.916864  0.389311  1
  S  S55  1  0.083333  0.291643  0.389285  1
  S  S56  1  0.166723  0.416339  0.389296  1
  S  S57  1  0.250176  0.540904  0.389450  1
  S  S58  1  0.333392  0.666283  0.389564  1
  S  S59  1  0.416664  0.791623  0.388941  1
  S  S60  1  0.500013  0.916716  0.389128  1
  S  S61  1  0.083332  0.042734  0.389955  1
  S  S62  1  0.166765  0.166966  0.389504  1
  S  S63  1  0.250128  0.291626  0.389187  1
  S  S64  1  0.333514  0.416437  0.389215  1
  S  S65  1  0.416779  0.541500  0.389254  1
  S  S66  1  0.500004  0.666584  0.389223  1
  S  S67  1  0.583333  0.791658  0.389178  1
  S  S68  1  0.666652  0.916716  0.389128  1
  S  S69  1  0.250483  0.042484  0.389382  1
  S  S70  1  0.333583  0.166879  0.389299  1
  S  S71  1  0.416831  0.291650  0.389152  1
  S  S72  1  0.500084  0.416601  0.389187  1
  S  S73  1  0.583334  0.541609  0.389250  1
  S  S74  1  0.666663  0.666585  0.389222  1
  S  S75  1  0.750004  0.791625  0.388941  1
  S  S76  1  0.833305  0.916865  0.389315  1
  S  S77  1  0.416796  0.041783  0.389210  1
  S  S78  1  0.500069  0.166707  0.389205  1
  S  S79  1  0.583333  0.291652  0.389202  1
  S  S80  1  0.666583  0.416602  0.389187  1
  S  S81  1  0.749890  0.541501  0.389253  1
  S  S82  1  0.833278  0.666287  0.389563  1
  S  S83  1  0.917401  0.791269  0.389315  1
  S  S84  1  -0.000911  0.919151  0.387953  1
  S  S85  1  0.583333  0.041716  0.389243  1
  S  S86  1  0.666597  0.166707  0.389205  1
  S  S87  1  0.749835  0.291651  0.389152  1
  S  S88  1  0.833154  0.416438  0.389215  1
  S  S89  1  0.916493  0.540907  0.389448  1
  S  S90  1  0.000254  0.664648  0.388758  1
  S  S91  1  0.749869  0.041784  0.389211  1
  S  S92  1  0.833083  0.166880  0.389299  1
  S  S93  1  0.916538  0.291627  0.389187  1
  S  S94  1  -0.000056  0.416340  0.389296  1
  S  S95  1  0.916181  0.042485  0.389384  1
  S  S96  1  -0.000099  0.166967  0.389503  1
  S  S97  1  0.083337  0.792349  0.603411  1
  S  S98  1  0.167928  0.918051  0.611554  1
  S  S99  1  0.083333  0.540709  0.611201  1
  S  S100  1  0.167143  0.664725  0.613094  1
  S  S101  1  0.250194  0.791782  0.610798  1
  S  S102  1  0.333012  0.916521  0.610023  1
  S  S103  1  0.083333  0.291658  0.610879  1
  S  S104  1  0.166812  0.416132  0.611032  1
  S  S105  1  0.250418  0.540850  0.611232  1
  S  S106  1  0.333471  0.666579  0.610616  1
  S  S107  1  0.416640  0.791631  0.610662  1
  S  S108  1  0.499946  0.916622  0.610618  1
  S  S109  1  0.083333  0.042520  0.611289  1
  S  S110  1  0.166885  0.167122  0.611153  1
  S  S111  1  0.250195  0.291666  0.610856  1
  S  S112  1  0.333561  0.416367  0.610801  1
  S  S113  1  0.416855  0.541524  0.610856  1
  S  S114  1  0.500038  0.666667  0.610694  1
  S  S115  1  0.583334  0.791648  0.610552  1
  S  S116  1  0.666717  0.916623  0.610619  1
  S  S117  1  0.250691  0.042428  0.611281  1
  S  S118  1  0.333726  0.166977  0.610930  1
  S  S119  1  0.416848  0.291674  0.610817  1
  S  S120  1  0.500078  0.416589  0.610790  1
  S  S121  1  0.583334  0.541630  0.610735  1
  S  S122  1  0.666631  0.666667  0.610693  1
  S  S123  1  0.750027  0.791631  0.610662  1
  S  S124  1  0.833648  0.916523  0.610029  1
  S  S125  1  0.416855  0.041741  0.610850  1
  S  S126  1  0.500107  0.166716  0.610818  1
  S  S127  1  0.583333  0.291656  0.610792  1
  S  S128  1  0.666590  0.416590  0.610790  1
  S  S129  1  0.749814  0.541526  0.610854  1
  S  S130  1  0.833198  0.666580  0.610614  1
  S  S131  1  0.916471  0.791783  0.610805  1
  S  S132  1  -0.001268  0.918055  0.611565  1
  S  S133  1  0.583332  0.041682  0.610710  1
  S  S134  1  0.666559  0.166717  0.610818  1
  S  S135  1  0.749818  0.291675  0.610816  1
  S  S136  1  0.833107  0.416369  0.610800  1
  S  S137  1  0.916250  0.540854  0.611230  1
  S  S138  1  -0.000474  0.664731  0.613092  1
  S  S139  1  0.749809  0.041743  0.610851  1
  S  S140  1  0.832939  0.166978  0.610930  1
  S  S141  1  0.916472  0.291667  0.610856  1
  S  S142  1  -0.000146  0.416133  0.611031  1
  S  S143  1  0.915974  0.042430  0.611283  1
  S  S144  1  -0.000218  0.167122  0.611153  1
