# 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  0.000003  0.748787  0.500000  1
  W  W2  1  0.086710  0.877321  0.499999  1
  W  W3  1  0.000000  0.495908  0.499995  1
  W  W4  1  0.082255  0.618953  0.499997  1
  W  W5  1  0.170694  0.754217  0.499998  1
  W  W6  1  0.252921  0.876739  0.499997  1
  W  W7  1  -0.000001  0.248768  0.499998  1
  W  W8  1  0.083605  0.372875  0.499996  1
  W  W9  1  0.167564  0.497376  0.499994  1
  W  W10  1  0.249287  0.625435  0.499996  1
  W  W11  1  0.335493  0.750749  0.499996  1
  W  W12  1  0.417557  0.876217  0.499996  1
  W  W13  1  -0.000000  -0.000180  0.500000  1
  W  W14  1  0.083556  0.124628  0.499999  1
  W  W15  1  0.167048  0.249185  0.499997  1
  W  W16  1  0.250481  0.373974  0.499995  1
  W  W17  1  0.333223  0.500051  0.499994  1
  W  W18  1  0.416517  0.625315  0.499994  1
  W  W19  1  0.500000  0.750652  0.499994  1
  W  W20  1  0.582446  0.876217  0.499997  1
  W  W21  1  0.168465  0.001598  0.499997  1
  W  W22  1  0.250850  0.125509  0.499997  1
  W  W23  1  0.333732  0.250131  0.499996  1
  W  W24  1  0.416720  0.375299  0.499996  1
  W  W25  1  0.500000  0.500263  0.499994  1
  W  W26  1  0.583481  0.625314  0.499994  1
  W  W27  1  0.664508  0.750749  0.499998  1
  W  W28  1  0.747081  0.876737  0.500000  1
  W  W29  1  0.334480  0.001269  0.499996  1
  W  W30  1  0.417047  0.125895  0.499997  1
  W  W31  1  0.500000  0.250641  0.499996  1
  W  W32  1  0.583280  0.375299  0.499996  1
  W  W33  1  0.666776  0.500051  0.499995  1
  W  W34  1  0.750708  0.625433  0.499997  1
  W  W35  1  0.829309  0.754212  0.499999  1
  W  W36  1  0.913292  0.877317  0.500000  1
  W  W37  1  0.500001  0.001184  0.499997  1
  W  W38  1  0.582954  0.125895  0.499998  1
  W  W39  1  0.666269  0.250131  0.499997  1
  W  W40  1  0.749519  0.373974  0.499996  1
  W  W41  1  0.832435  0.497376  0.499996  1
  W  W42  1  0.917737  0.618958  0.499997  1
  W  W43  1  0.665521  0.001268  0.499999  1
  W  W44  1  0.749150  0.125509  0.500000  1
  W  W45  1  0.832952  0.249185  0.499998  1
  W  W46  1  0.916394  0.372874  0.499997  1
  W  W47  1  0.831535  0.001598  0.500001  1
  W  W48  1  0.916444  0.124627  0.500000  1
  S  S49  1  0.092620  0.796203  0.387933  1
  S  S50  1  0.169597  0.919079  0.389210  1
  S  S51  1  0.084131  0.536660  0.388850  1
  S  S52  1  0.164171  0.667674  0.391905  1
  S  S53  1  0.254340  0.793483  0.388701  1
  S  S54  1  0.335069  0.918237  0.388719  1
  S  S55  1  0.083508  0.290074  0.389066  1
  S  S56  1  0.167150  0.414585  0.389043  1
  S  S57  1  0.249802  0.541774  0.389512  1
  S  S58  1  0.333018  0.666926  0.389416  1
  S  S59  1  0.417770  0.792672  0.388984  1
  S  S60  1  0.500001  0.917997  0.388872  1
  S  S61  1  0.083570  0.041546  0.389305  1
  S  S62  1  0.166975  0.166198  0.389157  1
  S  S63  1  0.250302  0.291005  0.389071  1
  S  S64  1  0.333343  0.416710  0.389282  1
  S  S65  1  0.416571  0.541903  0.389416  1
  S  S66  1  0.499999  0.666947  0.389410  1
  S  S67  1  0.582231  0.792672  0.388983  1
  S  S68  1  0.664933  0.918237  0.388717  1
  S  S69  1  0.251288  0.042749  0.388848  1
  S  S70  1  0.333848  0.167193  0.389000  1
  S  S71  1  0.416764  0.292149  0.389161  1
  S  S72  1  0.500000  0.417015  0.389269  1
  S  S73  1  0.583428  0.541903  0.389416  1
  S  S74  1  0.666978  0.666926  0.389415  1
  S  S75  1  0.745664  0.793481  0.388701  1
  S  S76  1  0.830404  0.919078  0.389208  1
  S  S77  1  0.417204  0.042868  0.388928  1
  S  S78  1  0.500000  0.167586  0.389037  1
  S  S79  1  0.583236  0.292149  0.389161  1
  S  S80  1  0.666657  0.416710  0.389281  1
  S  S81  1  0.750196  0.541773  0.389512  1
  S  S82  1  0.835822  0.667671  0.391899  1
  S  S83  1  0.907387  0.796200  0.387937  1
  S  S84  1  0.000001  0.916097  0.390414  1
  S  S85  1  0.582797  0.042867  0.388927  1
  S  S86  1  0.666152  0.167193  0.388999  1
  S  S87  1  0.749698  0.291005  0.389071  1
  S  S88  1  0.832850  0.414585  0.389042  1
  S  S89  1  0.915869  0.536662  0.388851  1
  S  S90  1  -0.000001  0.654918  0.386845  1
  S  S91  1  0.748712  0.042748  0.388848  1
  S  S92  1  0.833025  0.166198  0.389157  1
  S  S93  1  0.916491  0.290073  0.389066  1
  S  S94  1  -0.000000  0.413562  0.388790  1
  S  S95  1  0.916430  0.041546  0.389304  1
  S  S96  1  0.000000  0.165795  0.389180  1
  S  S97  1  0.092620  0.796203  0.612068  1
  S  S98  1  0.169597  0.919079  0.610793  1
  S  S99  1  0.084130  0.536661  0.611155  1
  S  S100  1  0.164171  0.667674  0.608097  1
  S  S101  1  0.254340  0.793483  0.611303  1
  S  S102  1  0.335070  0.918238  0.611286  1
  S  S103  1  0.083508  0.290073  0.610937  1
  S  S104  1  0.167149  0.414584  0.610962  1
  S  S105  1  0.249802  0.541774  0.610493  1
  S  S106  1  0.333018  0.666926  0.610589  1
  S  S107  1  0.417770  0.792672  0.611021  1
  S  S108  1  0.500001  0.917997  0.611131  1
  S  S109  1  0.083569  0.041546  0.610696  1
  S  S110  1  0.166974  0.166198  0.610845  1
  S  S111  1  0.250302  0.291004  0.610933  1
  S  S112  1  0.333343  0.416710  0.610724  1
  S  S113  1  0.416572  0.541903  0.610588  1
  S  S114  1  0.499999  0.666947  0.610595  1
  S  S115  1  0.582232  0.792672  0.611021  1
  S  S116  1  0.664933  0.918237  0.611284  1
  S  S117  1  0.251288  0.042748  0.611154  1
  S  S118  1  0.333848  0.167193  0.611003  1
  S  S119  1  0.416764  0.292149  0.610843  1
  S  S120  1  0.500000  0.417015  0.610737  1
  S  S121  1  0.583427  0.541903  0.610588  1
  S  S122  1  0.666978  0.666926  0.610589  1
  S  S123  1  0.745664  0.793481  0.611300  1
  S  S124  1  0.830404  0.919078  0.610792  1
  S  S125  1  0.417204  0.042867  0.611075  1
  S  S126  1  0.500000  0.167585  0.610966  1
  S  S127  1  0.583237  0.292149  0.610843  1
  S  S128  1  0.666657  0.416710  0.610724  1
  S  S129  1  0.750196  0.541773  0.610493  1
  S  S130  1  0.835822  0.667671  0.608103  1
  S  S131  1  0.907387  0.796200  0.612063  1
  S  S132  1  0.000001  0.916097  0.609587  1
  S  S133  1  0.582797  0.042867  0.611074  1
  S  S134  1  0.666152  0.167192  0.611003  1
  S  S135  1  0.749698  0.291005  0.610933  1
  S  S136  1  0.832851  0.414585  0.610962  1
  S  S137  1  0.915869  0.536662  0.611153  1
  S  S138  1  -0.000001  0.654918  0.613156  1
  S  S139  1  0.748712  0.042747  0.611152  1
  S  S140  1  0.833025  0.166198  0.610844  1
  S  S141  1  0.916491  0.290073  0.610937  1
  S  S142  1  -0.000001  0.413561  0.611214  1
  S  S143  1  0.916430  0.041546  0.610696  1
  S  S144  1  -0.000000  0.165795  0.610821  1
