# 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  0.749962  0.500000  1
  W  W2  1  0.088825  0.876867  0.500000  1
  W  W3  1  -0.000000  0.496580  0.500000  1
  W  W4  1  0.082377  0.619783  0.500000  1
  W  W5  1  0.171081  0.753283  0.500000  1
  W  W6  1  0.252974  0.876747  0.499999  1
  W  W7  1  -0.000000  0.249121  0.500000  1
  W  W8  1  0.083594  0.373296  0.500000  1
  W  W9  1  0.167704  0.497693  0.500000  1
  W  W10  1  0.249613  0.625096  0.500000  1
  W  W11  1  0.335530  0.750343  0.499999  1
  W  W12  1  0.417569  0.875856  0.499999  1
  W  W13  1  0.000000  -0.000386  0.500000  1
  W  W14  1  0.083501  0.124733  0.500000  1
  W  W15  1  0.166999  0.249404  0.500000  1
  W  W16  1  0.250536  0.374080  0.500000  1
  W  W17  1  0.333346  0.499838  0.500000  1
  W  W18  1  0.416644  0.624996  0.500000  1
  W  W19  1  0.500000  0.750220  0.500000  1
  W  W20  1  0.582431  0.875856  0.500000  1
  W  W21  1  0.168302  0.001851  0.500000  1
  W  W22  1  0.250761  0.125692  0.500000  1
  W  W23  1  0.333790  0.250105  0.500000  1
  W  W24  1  0.416809  0.375077  0.500000  1
  W  W25  1  0.500000  0.499968  0.500000  1
  W  W26  1  0.583356  0.624996  0.500000  1
  W  W27  1  0.664470  0.750343  0.500000  1
  W  W28  1  0.747026  0.876747  0.500000  1
  W  W29  1  0.334512  0.001156  0.499999  1
  W  W30  1  0.417032  0.125734  0.500000  1
  W  W31  1  0.500000  0.250422  0.500000  1
  W  W32  1  0.583191  0.375077  0.500000  1
  W  W33  1  0.666654  0.499838  0.500000  1
  W  W34  1  0.750387  0.625096  0.500000  1
  W  W35  1  0.828919  0.753283  0.500000  1
  W  W36  1  0.911175  0.876867  0.500000  1
  W  W37  1  0.500000  0.000927  0.499999  1
  W  W38  1  0.582968  0.125734  0.500000  1
  W  W39  1  0.666210  0.250105  0.500000  1
  W  W40  1  0.749464  0.374080  0.500000  1
  W  W41  1  0.832296  0.497693  0.500000  1
  W  W42  1  0.917623  0.619783  0.500000  1
  W  W43  1  0.665488  0.001156  0.500000  1
  W  W44  1  0.749239  0.125692  0.500000  1
  W  W45  1  0.833001  0.249404  0.500000  1
  W  W46  1  0.916406  0.373296  0.500000  1
  W  W47  1  0.831698  0.001851  0.500000  1
  W  W48  1  0.916499  0.124733  0.500000  1
  S  S49  1  0.093480  0.796847  0.387169  1
  S  S50  1  0.170335  0.919523  0.388873  1
  S  S51  1  0.084230  0.537263  0.388963  1
  S  S52  1  0.164949  0.667471  0.391420  1
  S  S53  1  0.254350  0.793211  0.388913  1
  S  S54  1  0.335198  0.918069  0.388729  1
  S  S55  1  0.083503  0.290438  0.389052  1
  S  S56  1  0.167210  0.414849  0.389039  1
  S  S57  1  0.250044  0.541539  0.389329  1
  S  S58  1  0.333264  0.666609  0.389315  1
  S  S59  1  0.417783  0.792288  0.388941  1
  S  S60  1  0.500000  0.917662  0.388895  1
  S  S61  1  0.083359  0.041566  0.389241  1
  S  S62  1  0.166871  0.166414  0.389125  1
  S  S63  1  0.250378  0.291092  0.389077  1
  S  S64  1  0.333507  0.416513  0.389219  1
  S  S65  1  0.416658  0.541604  0.389324  1
  S  S66  1  0.500000  0.666592  0.389258  1
  S  S67  1  0.582217  0.792288  0.388941  1
  S  S68  1  0.664802  0.918069  0.388729  1
  S  S69  1  0.251344  0.042932  0.388934  1
  S  S70  1  0.333874  0.167172  0.388978  1
  S  S71  1  0.416855  0.291944  0.389081  1
  S  S72  1  0.500000  0.416772  0.389150  1
  S  S73  1  0.583342  0.541604  0.389324  1
  S  S74  1  0.666736  0.666609  0.389315  1
  S  S75  1  0.745650  0.793211  0.388913  1
  S  S76  1  0.829665  0.919523  0.388873  1
  S  S77  1  0.417253  0.042693  0.388901  1
  S  S78  1  0.500000  0.167363  0.389002  1
  S  S79  1  0.583145  0.291944  0.389081  1
  S  S80  1  0.666493  0.416513  0.389219  1
  S  S81  1  0.749956  0.541539  0.389329  1
  S  S82  1  0.835051  0.667471  0.391420  1
  S  S83  1  0.906520  0.796847  0.387169  1
  S  S84  1  0.000000  0.915006  0.391358  1
  S  S85  1  0.582747  0.042693  0.388901  1
  S  S86  1  0.666126  0.167172  0.388978  1
  S  S87  1  0.749622  0.291092  0.389077  1
  S  S88  1  0.832790  0.414849  0.389039  1
  S  S89  1  0.915770  0.537263  0.388963  1
  S  S90  1  -0.000000  0.656278  0.387296  1
  S  S91  1  0.748656  0.042932  0.388934  1
  S  S92  1  0.833129  0.166414  0.389125  1
  S  S93  1  0.916497  0.290438  0.389052  1
  S  S94  1  -0.000000  0.414148  0.388850  1
  S  S95  1  0.916641  0.041566  0.389241  1
  S  S96  1  -0.000000  0.166090  0.389206  1
  S  S97  1  0.093480  0.796847  0.612831  1
  S  S98  1  0.170335  0.919523  0.611127  1
  S  S99  1  0.084230  0.537263  0.611037  1
  S  S100  1  0.164949  0.667471  0.608580  1
  S  S101  1  0.254350  0.793211  0.611087  1
  S  S102  1  0.335198  0.918069  0.611272  1
  S  S103  1  0.083503  0.290438  0.610948  1
  S  S104  1  0.167210  0.414849  0.610961  1
  S  S105  1  0.250044  0.541539  0.610671  1
  S  S106  1  0.333264  0.666609  0.610685  1
  S  S107  1  0.417783  0.792288  0.611059  1
  S  S108  1  0.500000  0.917662  0.611106  1
  S  S109  1  0.083359  0.041566  0.610759  1
  S  S110  1  0.166871  0.166414  0.610875  1
  S  S111  1  0.250378  0.291092  0.610923  1
  S  S112  1  0.333507  0.416513  0.610781  1
  S  S113  1  0.416658  0.541604  0.610676  1
  S  S114  1  0.500000  0.666592  0.610742  1
  S  S115  1  0.582217  0.792288  0.611059  1
  S  S116  1  0.664802  0.918069  0.611272  1
  S  S117  1  0.251344  0.042932  0.611066  1
  S  S118  1  0.333874  0.167172  0.611022  1
  S  S119  1  0.416855  0.291944  0.610920  1
  S  S120  1  0.500000  0.416772  0.610850  1
  S  S121  1  0.583342  0.541604  0.610676  1
  S  S122  1  0.666736  0.666609  0.610685  1
  S  S123  1  0.745650  0.793211  0.611087  1
  S  S124  1  0.829665  0.919523  0.611127  1
  S  S125  1  0.417253  0.042693  0.611100  1
  S  S126  1  0.500000  0.167363  0.610998  1
  S  S127  1  0.583145  0.291944  0.610920  1
  S  S128  1  0.666493  0.416513  0.610781  1
  S  S129  1  0.749956  0.541539  0.610671  1
  S  S130  1  0.835051  0.667471  0.608580  1
  S  S131  1  0.906520  0.796847  0.612831  1
  S  S132  1  -0.000000  0.915006  0.608642  1
  S  S133  1  0.582747  0.042693  0.611100  1
  S  S134  1  0.666126  0.167172  0.611022  1
  S  S135  1  0.749622  0.291092  0.610923  1
  S  S136  1  0.832790  0.414849  0.610961  1
  S  S137  1  0.915770  0.537263  0.611037  1
  S  S138  1  -0.000000  0.656278  0.612704  1
  S  S139  1  0.748656  0.042932  0.611066  1
  S  S140  1  0.833129  0.166414  0.610875  1
  S  S141  1  0.916497  0.290438  0.610948  1
  S  S142  1  0.000000  0.414148  0.611150  1
  S  S143  1  0.916641  0.041566  0.610759  1
  S  S144  1  0.000000  0.166090  0.610795  1
