# generated using pymatgen
data_MoW47S96
_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   MoW47S96
_chemical_formula_sum   'Mo1 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
  Mo  Mo1  1  0.000000  0.750027  0.500000  1
  W  W2  1  0.082658  0.875455  0.500000  1
  W  W3  1  -0.000000  0.499061  0.500000  1
  W  W4  1  0.084133  0.625269  0.500000  1
  W  W5  1  0.166783  0.749278  0.500000  1
  W  W6  1  0.250953  0.875467  0.500000  1
  W  W7  1  0.000000  0.249982  0.500000  1
  W  W8  1  0.082557  0.375320  0.500000  1
  W  W9  1  0.166596  0.499975  0.500000  1
  W  W10  1  0.249032  0.625492  0.500000  1
  W  W11  1  0.333342  0.750068  0.500000  1
  W  W12  1  0.415956  0.875442  0.500000  1
  W  W13  1  -0.000000  -0.000965  0.500000  1
  W  W14  1  0.084094  0.125378  0.500000  1
  W  W15  1  0.166682  0.249201  0.500000  1
  W  W16  1  0.250769  0.375383  0.500000  1
  W  W17  1  0.333355  0.499247  0.500000  1
  W  W18  1  0.417449  0.625374  0.500000  1
  W  W19  1  0.500000  0.749234  0.500000  1
  W  W20  1  0.584044  0.875442  0.500000  1
  W  W21  1  0.166730  -0.000033  0.500000  1
  W  W22  1  0.249233  0.125385  0.500000  1
  W  W23  1  0.333321  0.249998  0.500000  1
  W  W24  1  0.415861  0.375382  0.500000  1
  W  W25  1  0.500000  0.500044  0.500000  1
  W  W26  1  0.582551  0.625374  0.500000  1
  W  W27  1  0.666658  0.750068  0.500000  1
  W  W28  1  0.749047  0.875467  0.500000  1
  W  W29  1  0.333386  -0.000747  0.500000  1
  W  W30  1  0.417451  0.125411  0.500000  1
  W  W31  1  0.500000  0.249224  0.500000  1
  W  W32  1  0.584139  0.375382  0.500000  1
  W  W33  1  0.666645  0.499247  0.500000  1
  W  W34  1  0.750968  0.625492  0.500000  1
  W  W35  1  0.833217  0.749278  0.500000  1
  W  W36  1  0.917342  0.875455  0.500000  1
  W  W37  1  0.500000  -0.000019  0.500000  1
  W  W38  1  0.582549  0.125411  0.500000  1
  W  W39  1  0.666679  0.249998  0.500000  1
  W  W40  1  0.749231  0.375383  0.500000  1
  W  W41  1  0.833404  0.499975  0.500000  1
  W  W42  1  0.915867  0.625269  0.500000  1
  W  W43  1  0.666614  -0.000747  0.500000  1
  W  W44  1  0.750767  0.125385  0.500000  1
  W  W45  1  0.833318  0.249201  0.500000  1
  W  W46  1  0.917443  0.375320  0.500000  1
  W  W47  1  0.833270  -0.000033  0.500000  1
  W  W48  1  0.915906  0.125378  0.500000  1
  S  S49  1  0.083724  0.791866  0.389848  1
  S  S50  1  0.166810  0.916529  0.389726  1
  S  S51  1  0.083128  0.541627  0.389714  1
  S  S52  1  0.166510  0.666752  0.388797  1
  S  S53  1  0.249943  0.791831  0.389721  1
  S  S54  1  0.333464  0.916740  0.388801  1
  S  S55  1  0.083477  0.291687  0.389690  1
  S  S56  1  0.166642  0.416511  0.389725  1
  S  S57  1  0.250105  0.541788  0.389789  1
  S  S58  1  0.333276  0.666530  0.389784  1
  S  S59  1  0.416820  0.791771  0.389732  1
  S  S60  1  0.500000  0.916554  0.389638  1
  S  S61  1  0.083163  0.041677  0.389777  1
  S  S62  1  0.166657  0.166643  0.388869  1
  S  S63  1  0.249850  0.291730  0.389719  1
  S  S64  1  0.333325  0.416684  0.388875  1
  S  S65  1  0.416526  0.541744  0.389692  1
  S  S66  1  0.500000  0.666669  0.388864  1
  S  S67  1  0.583180  0.791771  0.389732  1
  S  S68  1  0.666536  0.916740  0.388801  1
  S  S69  1  0.250168  0.041727  0.389717  1
  S  S70  1  0.333338  0.166526  0.389723  1
  S  S71  1  0.416800  0.291737  0.389723  1
  S  S72  1  0.500000  0.416546  0.389740  1
  S  S73  1  0.583474  0.541744  0.389692  1
  S  S74  1  0.666724  0.666530  0.389784  1
  S  S75  1  0.750057  0.791831  0.389721  1
  S  S76  1  0.833190  0.916529  0.389726  1
  S  S77  1  0.416564  0.041751  0.389699  1
  S  S78  1  0.500000  0.166665  0.388859  1
  S  S79  1  0.583200  0.291737  0.389723  1
  S  S80  1  0.666675  0.416684  0.388875  1
  S  S81  1  0.749895  0.541788  0.389789  1
  S  S82  1  0.833490  0.666752  0.388797  1
  S  S83  1  0.916276  0.791866  0.389848  1
  S  S84  1  -0.000000  0.916513  0.388797  1
  S  S85  1  0.583436  0.041751  0.389699  1
  S  S86  1  0.666662  0.166526  0.389723  1
  S  S87  1  0.750151  0.291730  0.389719  1
  S  S88  1  0.833358  0.416511  0.389725  1
  S  S89  1  0.916872  0.541627  0.389714  1
  S  S90  1  0.000000  0.666285  0.389882  1
  S  S91  1  0.749832  0.041727  0.389717  1
  S  S92  1  0.833343  0.166643  0.388869  1
  S  S93  1  0.916523  0.291687  0.389690  1
  S  S94  1  -0.000000  0.416523  0.388815  1
  S  S95  1  0.916837  0.041677  0.389777  1
  S  S96  1  -0.000000  0.166521  0.389707  1
  S  S97  1  0.083724  0.791866  0.610151  1
  S  S98  1  0.166810  0.916529  0.610274  1
  S  S99  1  0.083128  0.541627  0.610286  1
  S  S100  1  0.166510  0.666752  0.611203  1
  S  S101  1  0.249943  0.791831  0.610279  1
  S  S102  1  0.333464  0.916740  0.611199  1
  S  S103  1  0.083477  0.291687  0.610310  1
  S  S104  1  0.166642  0.416511  0.610275  1
  S  S105  1  0.250105  0.541788  0.610211  1
  S  S106  1  0.333276  0.666530  0.610216  1
  S  S107  1  0.416820  0.791771  0.610268  1
  S  S108  1  0.500000  0.916554  0.610362  1
  S  S109  1  0.083163  0.041677  0.610223  1
  S  S110  1  0.166657  0.166643  0.611131  1
  S  S111  1  0.249850  0.291730  0.610281  1
  S  S112  1  0.333325  0.416684  0.611125  1
  S  S113  1  0.416526  0.541744  0.610308  1
  S  S114  1  0.500000  0.666669  0.611136  1
  S  S115  1  0.583180  0.791771  0.610268  1
  S  S116  1  0.666536  0.916740  0.611199  1
  S  S117  1  0.250168  0.041727  0.610283  1
  S  S118  1  0.333338  0.166526  0.610277  1
  S  S119  1  0.416800  0.291737  0.610277  1
  S  S120  1  0.500000  0.416546  0.610260  1
  S  S121  1  0.583474  0.541744  0.610308  1
  S  S122  1  0.666724  0.666530  0.610216  1
  S  S123  1  0.750057  0.791831  0.610279  1
  S  S124  1  0.833190  0.916529  0.610274  1
  S  S125  1  0.416564  0.041751  0.610301  1
  S  S126  1  0.500000  0.166665  0.611141  1
  S  S127  1  0.583200  0.291737  0.610277  1
  S  S128  1  0.666675  0.416684  0.611125  1
  S  S129  1  0.749895  0.541788  0.610211  1
  S  S130  1  0.833490  0.666752  0.611203  1
  S  S131  1  0.916276  0.791866  0.610152  1
  S  S132  1  0.000000  0.916513  0.611203  1
  S  S133  1  0.583436  0.041751  0.610301  1
  S  S134  1  0.666662  0.166526  0.610277  1
  S  S135  1  0.750151  0.291730  0.610281  1
  S  S136  1  0.833358  0.416511  0.610275  1
  S  S137  1  0.916872  0.541627  0.610286  1
  S  S138  1  0.000000  0.666285  0.610118  1
  S  S139  1  0.749832  0.041727  0.610283  1
  S  S140  1  0.833343  0.166643  0.611131  1
  S  S141  1  0.916523  0.291687  0.610310  1
  S  S142  1  -0.000000  0.416523  0.611185  1
  S  S143  1  0.916837  0.041677  0.610223  1
  S  S144  1  -0.000000  0.166521  0.610293  1
