# 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  0.749809  0.500000  1
  W  W2  1  0.088351  0.877535  0.500001  1
  W  W3  1  0.000000  0.496420  0.499998  1
  W  W4  1  0.083377  0.619714  0.500000  1
  W  W5  1  0.171490  0.752514  0.500001  1
  W  W6  1  0.252874  0.876766  0.500001  1
  W  W7  1  0.000000  0.248382  0.499999  1
  W  W8  1  0.083149  0.372788  0.499999  1
  W  W9  1  0.166408  0.497788  0.500000  1
  W  W10  1  0.248962  0.625537  0.500000  1
  W  W11  1  0.334916  0.751445  0.500001  1
  W  W12  1  0.417559  0.876444  0.500002  1
  W  W13  1  0.000000  -0.001316  0.500000  1
  W  W14  1  0.083670  0.124088  0.500000  1
  W  W15  1  0.166948  0.248813  0.500000  1
  W  W16  1  0.250364  0.373971  0.500000  1
  W  W17  1  0.333014  0.500032  0.499999  1
  W  W18  1  0.416671  0.625688  0.500000  1
  W  W19  1  0.500000  0.750819  0.500001  1
  W  W20  1  0.582441  0.876444  0.500002  1
  W  W21  1  0.168720  0.000606  0.500001  1
  W  W22  1  0.250852  0.125495  0.500001  1
  W  W23  1  0.333605  0.250032  0.500000  1
  W  W24  1  0.416555  0.375506  0.500000  1
  W  W25  1  0.500000  0.500560  0.500000  1
  W  W26  1  0.583329  0.625688  0.500000  1
  W  W27  1  0.665084  0.751445  0.500001  1
  W  W28  1  0.747126  0.876766  0.500002  1
  W  W29  1  0.334838  0.001050  0.500001  1
  W  W30  1  0.417117  0.125928  0.500001  1
  W  W31  1  0.500000  0.250549  0.500000  1
  W  W32  1  0.583445  0.375506  0.500000  1
  W  W33  1  0.666986  0.500032  0.499999  1
  W  W34  1  0.751038  0.625537  0.500000  1
  W  W35  1  0.828510  0.752514  0.500001  1
  W  W36  1  0.911649  0.877535  0.500001  1
  W  W37  1  0.500000  0.001177  0.500001  1
  W  W38  1  0.582883  0.125928  0.500001  1
  W  W39  1  0.666395  0.250032  0.499999  1
  W  W40  1  0.749636  0.373971  0.499999  1
  W  W41  1  0.833592  0.497788  0.499999  1
  W  W42  1  0.916623  0.619714  0.500000  1
  W  W43  1  0.665162  0.001050  0.500002  1
  W  W44  1  0.749148  0.125496  0.500000  1
  W  W45  1  0.833052  0.248813  0.499999  1
  W  W46  1  0.916851  0.372788  0.499999  1
  W  W47  1  0.831280  0.000606  0.500001  1
  W  W48  1  0.916330  0.124088  0.500000  1
  S  S49  1  0.092382  0.796285  0.387047  1
  S  S50  1  0.170138  0.918631  0.388267  1
  S  S51  1  0.083495  0.537662  0.388517  1
  S  S52  1  0.164757  0.667580  0.391549  1
  S  S53  1  0.253486  0.793505  0.388494  1
  S  S54  1  0.335096  0.918152  0.388687  1
  S  S55  1  0.083434  0.289869  0.389224  1
  S  S56  1  0.166647  0.414844  0.389391  1
  S  S57  1  0.249443  0.541704  0.389742  1
  S  S58  1  0.332951  0.667213  0.389730  1
  S  S59  1  0.417507  0.792882  0.389146  1
  S  S60  1  0.500000  0.918047  0.388873  1
  S  S61  1  0.083526  0.040780  0.389547  1
  S  S62  1  0.166890  0.165821  0.389277  1
  S  S63  1  0.250112  0.290924  0.389313  1
  S  S64  1  0.333120  0.416764  0.389419  1
  S  S65  1  0.416380  0.542197  0.389704  1
  S  S66  1  0.500000  0.667325  0.389425  1
  S  S67  1  0.582493  0.792882  0.389146  1
  S  S68  1  0.664904  0.918152  0.388687  1
  S  S69  1  0.251353  0.042408  0.389189  1
  S  S70  1  0.333853  0.167131  0.389138  1
  S  S71  1  0.416696  0.292240  0.389431  1
  S  S72  1  0.500000  0.417222  0.389508  1
  S  S73  1  0.583620  0.542197  0.389704  1
  S  S74  1  0.667049  0.667213  0.389730  1
  S  S75  1  0.746514  0.793505  0.388494  1
  S  S76  1  0.829862  0.918631  0.388267  1
  S  S77  1  0.417257  0.042896  0.388969  1
  S  S78  1  0.500000  0.167577  0.389139  1
  S  S79  1  0.583304  0.292240  0.389431  1
  S  S80  1  0.666880  0.416764  0.389419  1
  S  S81  1  0.750557  0.541704  0.389743  1
  S  S82  1  0.835243  0.667580  0.391549  1
  S  S83  1  0.907618  0.796285  0.387047  1
  S  S84  1  0.000000  0.914609  0.391490  1
  S  S85  1  0.582743  0.042896  0.388969  1
  S  S86  1  0.666147  0.167131  0.389138  1
  S  S87  1  0.749888  0.290924  0.389314  1
  S  S88  1  0.833353  0.414844  0.389391  1
  S  S89  1  0.916505  0.537662  0.388517  1
  S  S90  1  -0.000000  0.657172  0.387151  1
  S  S91  1  0.748647  0.042408  0.389189  1
  S  S92  1  0.833110  0.165821  0.389277  1
  S  S93  1  0.916566  0.289869  0.389224  1
  S  S94  1  -0.000000  0.413917  0.388809  1
  S  S95  1  0.916474  0.040780  0.389547  1
  S  S96  1  -0.000000  0.165229  0.389465  1
  S  S97  1  0.092382  0.796285  0.612953  1
  S  S98  1  0.170138  0.918631  0.611732  1
  S  S99  1  0.083494  0.537661  0.611482  1
  S  S100  1  0.164757  0.667580  0.608450  1
  S  S101  1  0.253486  0.793505  0.611505  1
  S  S102  1  0.335096  0.918152  0.611312  1
  S  S103  1  0.083434  0.289869  0.610776  1
  S  S104  1  0.166647  0.414844  0.610610  1
  S  S105  1  0.249443  0.541704  0.610258  1
  S  S106  1  0.332951  0.667213  0.610269  1
  S  S107  1  0.417507  0.792883  0.610853  1
  S  S108  1  0.500000  0.918046  0.611126  1
  S  S109  1  0.083526  0.040780  0.610453  1
  S  S110  1  0.166890  0.165821  0.610723  1
  S  S111  1  0.250112  0.290924  0.610687  1
  S  S112  1  0.333120  0.416765  0.610582  1
  S  S113  1  0.416380  0.542197  0.610296  1
  S  S114  1  0.500000  0.667326  0.610574  1
  S  S115  1  0.582493  0.792883  0.610853  1
  S  S116  1  0.664904  0.918152  0.611312  1
  S  S117  1  0.251353  0.042408  0.610810  1
  S  S118  1  0.333853  0.167131  0.610861  1
  S  S119  1  0.416696  0.292240  0.610570  1
  S  S120  1  0.500000  0.417222  0.610492  1
  S  S121  1  0.583620  0.542197  0.610296  1
  S  S122  1  0.667049  0.667213  0.610269  1
  S  S123  1  0.746514  0.793505  0.611505  1
  S  S124  1  0.829862  0.918631  0.611732  1
  S  S125  1  0.417257  0.042896  0.611030  1
  S  S126  1  0.500000  0.167577  0.610860  1
  S  S127  1  0.583304  0.292240  0.610570  1
  S  S128  1  0.666880  0.416765  0.610582  1
  S  S129  1  0.750557  0.541704  0.610258  1
  S  S130  1  0.835243  0.667580  0.608450  1
  S  S131  1  0.907618  0.796285  0.612953  1
  S  S132  1  -0.000000  0.914609  0.608510  1
  S  S133  1  0.582743  0.042896  0.611030  1
  S  S134  1  0.666147  0.167131  0.610862  1
  S  S135  1  0.749888  0.290924  0.610687  1
  S  S136  1  0.833353  0.414844  0.610610  1
  S  S137  1  0.916506  0.537661  0.611482  1
  S  S138  1  -0.000000  0.657172  0.612849  1
  S  S139  1  0.748647  0.042408  0.610810  1
  S  S140  1  0.833110  0.165821  0.610723  1
  S  S141  1  0.916566  0.289869  0.610776  1
  S  S142  1  0.000000  0.413918  0.611191  1
  S  S143  1  0.916474  0.040780  0.610453  1
  S  S144  1  0.000000  0.165229  0.610535  1
