# generated using pymatgen
data_W47S96
_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   W47S96
_chemical_formula_sum   '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
  W  W1  1  0.084719  0.874931  0.500001  1
  W  W2  1  0.000000  0.497589  0.500005  1
  W  W3  1  0.080851  0.622184  0.500002  1
  W  W4  1  0.166613  0.753783  0.500001  1
  W  W5  1  0.251463  0.875904  0.500002  1
  W  W6  1  -0.000000  0.249210  0.500006  1
  W  W7  1  0.083433  0.373788  0.500004  1
  W  W8  1  0.167261  0.498541  0.500003  1
  W  W9  1  0.248884  0.625752  0.500003  1
  W  W10  1  0.334341  0.750365  0.500003  1
  W  W11  1  0.417060  0.875680  0.500003  1
  W  W12  1  -0.000000  -0.000543  0.500002  1
  W  W13  1  0.083398  0.124594  0.500003  1
  W  W14  1  0.166869  0.249484  0.500004  1
  W  W15  1  0.250222  0.374485  0.500004  1
  W  W16  1  0.333074  0.500264  0.500004  1
  W  W17  1  0.416330  0.625312  0.500005  1
  W  W18  1  0.500000  0.750418  0.500004  1
  W  W19  1  0.582940  0.875681  0.500004  1
  W  W20  1  0.167492  0.000847  0.500002  1
  W  W21  1  0.250444  0.125179  0.500003  1
  W  W22  1  0.333546  0.250092  0.500004  1
  W  W23  1  0.416644  0.375296  0.500006  1
  W  W24  1  0.500000  0.500298  0.500007  1
  W  W25  1  0.583670  0.625312  0.500006  1
  W  W26  1  0.665659  0.750365  0.500004  1
  W  W27  1  0.748537  0.875904  0.500004  1
  W  W28  1  0.333911  0.000614  0.500003  1
  W  W29  1  0.416865  0.125503  0.500005  1
  W  W30  1  0.500000  0.250451  0.500008  1
  W  W31  1  0.583356  0.375296  0.500008  1
  W  W32  1  0.666926  0.500264  0.500008  1
  W  W33  1  0.751117  0.625752  0.500005  1
  W  W34  1  0.833387  0.753783  0.500002  1
  W  W35  1  0.915281  0.874931  0.500002  1
  W  W36  1  0.500000  0.000649  0.500004  1
  W  W37  1  0.583135  0.125503  0.500008  1
  W  W38  1  0.666454  0.250092  0.500008  1
  W  W39  1  0.749778  0.374485  0.500009  1
  W  W40  1  0.832739  0.498541  0.500007  1
  W  W41  1  0.919149  0.622184  0.500003  1
  W  W42  1  0.666089  0.000614  0.500007  1
  W  W43  1  0.749556  0.125179  0.500009  1
  W  W44  1  0.833131  0.249484  0.500009  1
  W  W45  1  0.916567  0.373788  0.500007  1
  W  W46  1  0.832508  0.000847  0.500006  1
  W  W47  1  0.916602  0.124594  0.500006  1
  S  S48  1  0.086298  0.793168  0.390006  1
  S  S49  1  0.167947  0.917712  0.389552  1
  S  S50  1  0.083676  0.538865  0.389420  1
  S  S51  1  0.163801  0.667772  0.391147  1
  S  S52  1  0.251924  0.792700  0.389225  1
  S  S53  1  0.334163  0.917478  0.388932  1
  S  S54  1  0.083424  0.290703  0.389171  1
  S  S55  1  0.166880  0.415489  0.389116  1
  S  S56  1  0.249623  0.542127  0.389438  1
  S  S57  1  0.332708  0.666975  0.389335  1
  S  S58  1  0.417160  0.792231  0.389165  1
  S  S59  1  0.500000  0.917385  0.389087  1
  S  S60  1  0.083367  0.041353  0.389241  1
  S  S61  1  0.166786  0.166290  0.389230  1
  S  S62  1  0.250157  0.291309  0.389172  1
  S  S63  1  0.333260  0.416869  0.389296  1
  S  S64  1  0.416508  0.541936  0.389385  1
  S  S65  1  0.500000  0.666846  0.389430  1
  S  S66  1  0.582840  0.792231  0.389164  1
  S  S67  1  0.665837  0.917478  0.388930  1
  S  S68  1  0.250652  0.042141  0.389035  1
  S  S69  1  0.333592  0.166932  0.389134  1
  S  S70  1  0.416694  0.292028  0.389219  1
  S  S71  1  0.500000  0.416979  0.389283  1
  S  S72  1  0.583492  0.541936  0.389384  1
  S  S73  1  0.667292  0.666975  0.389333  1
  S  S74  1  0.748076  0.792700  0.389224  1
  S  S75  1  0.832053  0.917712  0.389550  1
  S  S76  1  0.416942  0.042315  0.389104  1
  S  S77  1  0.500000  0.167231  0.389155  1
  S  S78  1  0.583306  0.292028  0.389218  1
  S  S79  1  0.666740  0.416869  0.389295  1
  S  S80  1  0.750378  0.542127  0.389437  1
  S  S81  1  0.836199  0.667772  0.391146  1
  S  S82  1  0.913702  0.793168  0.390006  1
  S  S83  1  0.000000  0.915659  0.389855  1
  S  S84  1  0.583058  0.042315  0.389103  1
  S  S85  1  0.666408  0.166932  0.389132  1
  S  S86  1  0.749843  0.291309  0.389170  1
  S  S87  1  0.833120  0.415489  0.389114  1
  S  S88  1  0.916324  0.538866  0.389419  1
  S  S89  1  -0.000000  0.660559  0.388511  1
  S  S90  1  0.749348  0.042141  0.389034  1
  S  S91  1  0.833214  0.166290  0.389227  1
  S  S92  1  0.916576  0.290703  0.389170  1
  S  S93  1  0.000000  0.414890  0.388904  1
  S  S94  1  0.916633  0.041353  0.389240  1
  S  S95  1  0.000000  0.166045  0.389207  1
  S  S96  1  0.086299  0.793168  0.609993  1
  S  S97  1  0.167947  0.917713  0.610447  1
  S  S98  1  0.083676  0.538865  0.610576  1
  S  S99  1  0.163801  0.667771  0.608851  1
  S  S100  1  0.251924  0.792700  0.610773  1
  S  S101  1  0.334163  0.917478  0.611065  1
  S  S102  1  0.083424  0.290703  0.610824  1
  S  S103  1  0.166881  0.415489  0.610881  1
  S  S104  1  0.249622  0.542127  0.610559  1
  S  S105  1  0.332708  0.666975  0.610662  1
  S  S106  1  0.417160  0.792231  0.610832  1
  S  S107  1  0.500000  0.917385  0.610908  1
  S  S108  1  0.083367  0.041353  0.610756  1
  S  S109  1  0.166786  0.166290  0.610767  1
  S  S110  1  0.250157  0.291310  0.610824  1
  S  S111  1  0.333260  0.416868  0.610701  1
  S  S112  1  0.416508  0.541936  0.610612  1
  S  S113  1  0.500000  0.666846  0.610565  1
  S  S114  1  0.582840  0.792231  0.610831  1
  S  S115  1  0.665837  0.917478  0.611064  1
  S  S116  1  0.250652  0.042141  0.610961  1
  S  S117  1  0.333593  0.166932  0.610861  1
  S  S118  1  0.416695  0.292028  0.610775  1
  S  S119  1  0.500000  0.416979  0.610710  1
  S  S120  1  0.583492  0.541936  0.610611  1
  S  S121  1  0.667292  0.666975  0.610661  1
  S  S122  1  0.748076  0.792700  0.610772  1
  S  S123  1  0.832053  0.917712  0.610446  1
  S  S124  1  0.416942  0.042315  0.610891  1
  S  S125  1  0.500000  0.167231  0.610837  1
  S  S126  1  0.583306  0.292028  0.610774  1
  S  S127  1  0.666740  0.416868  0.610700  1
  S  S128  1  0.750378  0.542127  0.610558  1
  S  S129  1  0.836199  0.667771  0.608851  1
  S  S130  1  0.913701  0.793168  0.609992  1
  S  S131  1  -0.000000  0.915659  0.610142  1
  S  S132  1  0.583058  0.042315  0.610890  1
  S  S133  1  0.666407  0.166932  0.610859  1
  S  S134  1  0.749843  0.291310  0.610822  1
  S  S135  1  0.833119  0.415489  0.610879  1
  S  S136  1  0.916324  0.538865  0.610576  1
  S  S137  1  0.000000  0.660559  0.611488  1
  S  S138  1  0.749348  0.042141  0.610959  1
  S  S139  1  0.833214  0.166290  0.610765  1
  S  S140  1  0.916576  0.290703  0.610823  1
  S  S141  1  -0.000000  0.414890  0.611091  1
  S  S142  1  0.916633  0.041353  0.610755  1
  S  S143  1  -0.000000  0.166045  0.610788  1
