# generated using pymatgen
data_NaW47S96
_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   NaW47S96
_chemical_formula_sum   'Na1 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
  Na  Na1  1  0.000000  0.749849  0.500000  1
  W  W2  1  0.088627  0.877081  0.500000  1
  W  W3  1  -0.000000  0.496059  0.500000  1
  W  W4  1  0.082622  0.619658  0.500000  1
  W  W5  1  0.171166  0.753103  0.500000  1
  W  W6  1  0.253190  0.876959  0.500001  1
  W  W7  1  -0.000000  0.248547  0.499999  1
  W  W8  1  0.083537  0.372791  0.500000  1
  W  W9  1  0.167253  0.497304  0.500000  1
  W  W10  1  0.249350  0.625263  0.500000  1
  W  W11  1  0.335566  0.750952  0.500000  1
  W  W12  1  0.417670  0.876289  0.500001  1
  W  W13  1  0.000000  -0.000761  0.500000  1
  W  W14  1  0.083584  0.124309  0.500000  1
  W  W15  1  0.167019  0.249020  0.500000  1
  W  W16  1  0.250350  0.373909  0.500000  1
  W  W17  1  0.333213  0.499970  0.500000  1
  W  W18  1  0.416571  0.625362  0.500000  1
  W  W19  1  0.500000  0.750820  0.500000  1
  W  W20  1  0.582330  0.876289  0.500000  1
  W  W21  1  0.168802  0.001567  0.500001  1
  W  W22  1  0.250967  0.125513  0.500001  1
  W  W23  1  0.333770  0.250119  0.500001  1
  W  W24  1  0.416722  0.375236  0.500000  1
  W  W25  1  0.500000  0.500273  0.500001  1
  W  W26  1  0.583429  0.625362  0.500001  1
  W  W27  1  0.664434  0.750952  0.500000  1
  W  W28  1  0.746810  0.876959  0.500000  1
  W  W29  1  0.334697  0.001336  0.500001  1
  W  W30  1  0.417097  0.125944  0.500001  1
  W  W31  1  0.500000  0.250624  0.500000  1
  W  W32  1  0.583278  0.375236  0.500001  1
  W  W33  1  0.666788  0.499970  0.500001  1
  W  W34  1  0.750650  0.625263  0.500001  1
  W  W35  1  0.828834  0.753103  0.500000  1
  W  W36  1  0.911373  0.877081  0.500000  1
  W  W37  1  0.500000  0.001267  0.500001  1
  W  W38  1  0.582903  0.125944  0.500000  1
  W  W39  1  0.666230  0.250119  0.500000  1
  W  W40  1  0.749650  0.373909  0.500001  1
  W  W41  1  0.832747  0.497304  0.500001  1
  W  W42  1  0.917378  0.619658  0.500000  1
  W  W43  1  0.665303  0.001336  0.500000  1
  W  W44  1  0.749033  0.125513  0.500000  1
  W  W45  1  0.832981  0.249020  0.499999  1
  W  W46  1  0.916463  0.372791  0.500000  1
  W  W47  1  0.831198  0.001567  0.500000  1
  W  W48  1  0.916417  0.124309  0.500000  1
  S  S49  1  0.093250  0.796754  0.387988  1
  S  S50  1  0.170402  0.919338  0.388739  1
  S  S51  1  0.084005  0.537072  0.388891  1
  S  S52  1  0.164843  0.667500  0.391520  1
  S  S53  1  0.254241  0.793435  0.388826  1
  S  S54  1  0.335294  0.918305  0.388668  1
  S  S55  1  0.083467  0.289951  0.389094  1
  S  S56  1  0.166983  0.414583  0.389034  1
  S  S57  1  0.249737  0.541550  0.389547  1
  S  S58  1  0.333095  0.666949  0.389508  1
  S  S59  1  0.417759  0.792753  0.388897  1
  S  S60  1  0.500000  0.918063  0.388864  1
  S  S61  1  0.083512  0.041146  0.389370  1
  S  S62  1  0.166957  0.166020  0.389203  1
  S  S63  1  0.250261  0.290938  0.389112  1
  S  S64  1  0.333287  0.416617  0.389341  1
  S  S65  1  0.416543  0.541926  0.389477  1
  S  S66  1  0.500000  0.667065  0.389445  1
  S  S67  1  0.582241  0.792753  0.388898  1
  S  S68  1  0.664706  0.918305  0.388669  1
  S  S69  1  0.251512  0.042811  0.388842  1
  S  S70  1  0.333912  0.167216  0.388978  1
  S  S71  1  0.416783  0.292131  0.389151  1
  S  S72  1  0.500000  0.417021  0.389301  1
  S  S73  1  0.583457  0.541926  0.389476  1
  S  S74  1  0.666905  0.666949  0.389508  1
  S  S75  1  0.745759  0.793435  0.388826  1
  S  S76  1  0.829598  0.919338  0.388739  1
  S  S77  1  0.417285  0.042942  0.388871  1
  S  S78  1  0.500000  0.167614  0.389013  1
  S  S79  1  0.583217  0.292131  0.389151  1
  S  S80  1  0.666713  0.416617  0.389341  1
  S  S81  1  0.750263  0.541550  0.389547  1
  S  S82  1  0.835157  0.667500  0.391520  1
  S  S83  1  0.906750  0.796754  0.387989  1
  S  S84  1  -0.000000  0.914884  0.391385  1
  S  S85  1  0.582715  0.042942  0.388871  1
  S  S86  1  0.666088  0.167216  0.388978  1
  S  S87  1  0.749739  0.290938  0.389112  1
  S  S88  1  0.833017  0.414583  0.389033  1
  S  S89  1  0.915995  0.537072  0.388891  1
  S  S90  1  -0.000000  0.656288  0.388111  1
  S  S91  1  0.748488  0.042811  0.388842  1
  S  S92  1  0.833043  0.166020  0.389204  1
  S  S93  1  0.916533  0.289951  0.389094  1
  S  S94  1  0.000000  0.413676  0.388843  1
  S  S95  1  0.916488  0.041146  0.389370  1
  S  S96  1  0.000000  0.165508  0.389269  1
  S  S97  1  0.093250  0.796754  0.612011  1
  S  S98  1  0.170402  0.919338  0.611260  1
  S  S99  1  0.084005  0.537072  0.611109  1
  S  S100  1  0.164843  0.667500  0.608480  1
  S  S101  1  0.254241  0.793436  0.611173  1
  S  S102  1  0.335294  0.918305  0.611330  1
  S  S103  1  0.083467  0.289952  0.610906  1
  S  S104  1  0.166983  0.414583  0.610966  1
  S  S105  1  0.249737  0.541550  0.610452  1
  S  S106  1  0.333095  0.666949  0.610492  1
  S  S107  1  0.417759  0.792753  0.611102  1
  S  S108  1  0.500000  0.918063  0.611135  1
  S  S109  1  0.083512  0.041146  0.610630  1
  S  S110  1  0.166958  0.166019  0.610797  1
  S  S111  1  0.250261  0.290938  0.610888  1
  S  S112  1  0.333287  0.416617  0.610659  1
  S  S113  1  0.416543  0.541926  0.610524  1
  S  S114  1  0.500000  0.667065  0.610555  1
  S  S115  1  0.582241  0.792753  0.611102  1
  S  S116  1  0.664706  0.918305  0.611331  1
  S  S117  1  0.251512  0.042811  0.611157  1
  S  S118  1  0.333912  0.167216  0.611022  1
  S  S119  1  0.416783  0.292131  0.610849  1
  S  S120  1  0.500000  0.417021  0.610699  1
  S  S121  1  0.583456  0.541926  0.610524  1
  S  S122  1  0.666905  0.666949  0.610492  1
  S  S123  1  0.745759  0.793435  0.611173  1
  S  S124  1  0.829598  0.919338  0.611261  1
  S  S125  1  0.417285  0.042942  0.611128  1
  S  S126  1  0.500000  0.167614  0.610986  1
  S  S127  1  0.583217  0.292131  0.610849  1
  S  S128  1  0.666713  0.416617  0.610659  1
  S  S129  1  0.750263  0.541550  0.610452  1
  S  S130  1  0.835157  0.667500  0.608480  1
  S  S131  1  0.906750  0.796754  0.612011  1
  S  S132  1  0.000000  0.914884  0.608614  1
  S  S133  1  0.582715  0.042942  0.611128  1
  S  S134  1  0.666088  0.167216  0.611022  1
  S  S135  1  0.749739  0.290938  0.610888  1
  S  S136  1  0.833017  0.414583  0.610966  1
  S  S137  1  0.915995  0.537072  0.611109  1
  S  S138  1  0.000000  0.656288  0.611889  1
  S  S139  1  0.748488  0.042811  0.611158  1
  S  S140  1  0.833043  0.166020  0.610797  1
  S  S141  1  0.916533  0.289951  0.610906  1
  S  S142  1  0.000000  0.413676  0.611157  1
  S  S143  1  0.916488  0.041146  0.610630  1
  S  S144  1  -0.000000  0.165508  0.610732  1
