# generated using pymatgen
data_W47S97
_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   W47S97
_chemical_formula_sum   'W47 S97'
_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  0.085075  0.875831  0.500001  1
  W  W2  1  -0.000000  0.497881  0.500000  1
  W  W3  1  0.073376  0.622837  0.500000  1
  W  W4  1  0.169307  0.753864  0.500000  1
  W  W5  1  0.251745  0.876195  0.499999  1
  W  W6  1  -0.000000  0.248949  0.500001  1
  W  W7  1  0.083460  0.374209  0.500001  1
  W  W8  1  0.168768  0.497957  0.500000  1
  W  W9  1  0.251240  0.625522  0.499999  1
  W  W10  1  0.334619  0.751128  0.499997  1
  W  W11  1  0.417483  0.876577  0.499998  1
  W  W12  1  -0.000000  -0.000778  0.500002  1
  W  W13  1  0.083163  0.124757  0.500002  1
  W  W14  1  0.166827  0.249769  0.500001  1
  W  W15  1  0.249334  0.375294  0.499999  1
  W  W16  1  0.333230  0.500715  0.499997  1
  W  W17  1  0.416301  0.626384  0.499997  1
  W  W18  1  0.500000  0.751379  0.499997  1
  W  W19  1  0.582517  0.876577  0.499999  1
  W  W20  1  0.168236  0.000524  0.500001  1
  W  W21  1  0.250719  0.125442  0.500001  1
  W  W22  1  0.333308  0.250163  0.499999  1
  W  W23  1  0.417065  0.375985  0.499997  1
  W  W24  1  0.500000  0.500700  0.499996  1
  W  W25  1  0.583699  0.626384  0.499997  1
  W  W26  1  0.665381  0.751128  0.499998  1
  W  W27  1  0.748255  0.876195  0.500000  1
  W  W28  1  0.334007  0.001260  0.499999  1
  W  W29  1  0.416469  0.126112  0.499999  1
  W  W30  1  0.500000  0.250943  0.499998  1
  W  W31  1  0.582935  0.375985  0.499997  1
  W  W32  1  0.666770  0.500715  0.499998  1
  W  W33  1  0.748760  0.625523  0.499999  1
  W  W34  1  0.830694  0.753864  0.500000  1
  W  W35  1  0.914925  0.875831  0.500001  1
  W  W36  1  0.500000  0.000958  0.499998  1
  W  W37  1  0.583531  0.126113  0.499998  1
  W  W38  1  0.666692  0.250163  0.499998  1
  W  W39  1  0.750666  0.375294  0.499999  1
  W  W40  1  0.831231  0.497957  0.499999  1
  W  W41  1  0.926624  0.622838  0.500000  1
  W  W42  1  0.665993  0.001260  0.499999  1
  W  W43  1  0.749281  0.125443  0.500000  1
  W  W44  1  0.833172  0.249769  0.500000  1
  W  W45  1  0.916540  0.374209  0.500000  1
  W  W46  1  0.831764  0.000524  0.500001  1
  W  W47  1  0.916837  0.124758  0.500002  1
  S  S48  1  0.087530  0.793212  0.390408  1
  S  S49  1  0.168159  0.917643  0.389129  1
  S  S50  1  0.084328  0.539255  0.389148  1
  S  S51  1  0.163156  0.666919  0.393521  1
  S  S52  1  0.252565  0.793253  0.388495  1
  S  S53  1  0.334306  0.918055  0.388992  1
  S  S54  1  0.083264  0.290875  0.389259  1
  S  S55  1  0.166348  0.415754  0.388194  1
  S  S56  1  0.250138  0.542468  0.389552  1
  S  S57  1  0.333278  0.667796  0.388653  1
  S  S58  1  0.417248  0.793088  0.389203  1
  S  S59  1  0.500000  0.918084  0.388769  1
  S  S60  1  0.083525  0.041228  0.389681  1
  S  S61  1  0.166723  0.166435  0.389440  1
  S  S62  1  0.249978  0.291874  0.389436  1
  S  S63  1  0.333275  0.417186  0.389415  1
  S  S64  1  0.416660  0.542628  0.389572  1
  S  S65  1  0.500000  0.667767  0.389465  1
  S  S66  1  0.582752  0.793089  0.389204  1
  S  S67  1  0.665694  0.918055  0.388991  1
  S  S68  1  0.250754  0.042419  0.388964  1
  S  S69  1  0.333433  0.167319  0.388949  1
  S  S70  1  0.416537  0.292493  0.389571  1
  S  S71  1  0.500000  0.417683  0.389128  1
  S  S72  1  0.583339  0.542628  0.389572  1
  S  S73  1  0.666722  0.667796  0.388652  1
  S  S74  1  0.747435  0.793253  0.388495  1
  S  S75  1  0.831842  0.917643  0.389130  1
  S  S76  1  0.417022  0.042909  0.389235  1
  S  S77  1  0.500000  0.167680  0.389432  1
  S  S78  1  0.583463  0.292493  0.389571  1
  S  S79  1  0.666725  0.417186  0.389415  1
  S  S80  1  0.749861  0.542468  0.389552  1
  S  S81  1  0.836844  0.666919  0.393521  1
  S  S82  1  0.912470  0.793212  0.390408  1
  S  S83  1  0.000000  0.915496  0.390061  1
  S  S84  1  0.582978  0.042909  0.389236  1
  S  S85  1  0.666566  0.167320  0.388948  1
  S  S86  1  0.750022  0.291874  0.389436  1
  S  S87  1  0.833652  0.415754  0.388194  1
  S  S88  1  0.915672  0.539255  0.389148  1
  S  S89  1  0.000000  0.655917  0.362421  1
  S  S90  1  0.749246  0.042419  0.388963  1
  S  S91  1  0.833277  0.166435  0.389439  1
  S  S92  1  0.916736  0.290875  0.389259  1
  S  S93  1  -0.000000  0.415474  0.388759  1
  S  S94  1  0.916475  0.041228  0.389681  1
  S  S95  1  0.000000  0.165976  0.389093  1
  S  S96  1  0.087530  0.793212  0.609592  1
  S  S97  1  0.168159  0.917643  0.610870  1
  S  S98  1  0.084327  0.539255  0.610852  1
  S  S99  1  0.163156  0.666919  0.606480  1
  S  S100  1  0.252565  0.793253  0.611506  1
  S  S101  1  0.334307  0.918055  0.611009  1
  S  S102  1  0.083264  0.290875  0.610740  1
  S  S103  1  0.166348  0.415754  0.611806  1
  S  S104  1  0.250138  0.542468  0.610450  1
  S  S105  1  0.333278  0.667797  0.611351  1
  S  S106  1  0.417247  0.793090  0.610797  1
  S  S107  1  0.500000  0.918084  0.611232  1
  S  S108  1  0.083525  0.041228  0.610317  1
  S  S109  1  0.166722  0.166435  0.610560  1
  S  S110  1  0.249978  0.291874  0.610564  1
  S  S111  1  0.333275  0.417186  0.610588  1
  S  S112  1  0.416660  0.542628  0.610432  1
  S  S113  1  0.500000  0.667767  0.610539  1
  S  S114  1  0.582753  0.793090  0.610797  1
  S  S115  1  0.665694  0.918055  0.611008  1
  S  S116  1  0.250754  0.042419  0.611037  1
  S  S117  1  0.333433  0.167319  0.611053  1
  S  S118  1  0.416537  0.292492  0.610431  1
  S  S119  1  0.500000  0.417683  0.610876  1
  S  S120  1  0.583340  0.542628  0.610432  1
  S  S121  1  0.666722  0.667797  0.611350  1
  S  S122  1  0.747435  0.793253  0.611506  1
  S  S123  1  0.831842  0.917643  0.610870  1
  S  S124  1  0.417022  0.042909  0.610766  1
  S  S125  1  0.500000  0.167680  0.610570  1
  S  S126  1  0.583463  0.292492  0.610431  1
  S  S127  1  0.666725  0.417186  0.610588  1
  S  S128  1  0.749862  0.542468  0.610449  1
  S  S129  1  0.836844  0.666919  0.606480  1
  S  S130  1  0.912470  0.793212  0.609592  1
  S  S131  1  0.000000  0.915496  0.609938  1
  S  S132  1  0.582979  0.042909  0.610766  1
  S  S133  1  0.666567  0.167319  0.611052  1
  S  S134  1  0.750022  0.291874  0.610565  1
  S  S135  1  0.833652  0.415754  0.611806  1
  S  S136  1  0.915672  0.539255  0.610852  1
  S  S137  1  0.000000  0.655917  0.637579  1
  S  S138  1  0.749246  0.042419  0.611036  1
  S  S139  1  0.833277  0.166435  0.610559  1
  S  S140  1  0.916736  0.290875  0.610740  1
  S  S141  1  -0.000000  0.415474  0.611241  1
  S  S142  1  0.916475  0.041228  0.610318  1
  S  S143  1  0.000000  0.165976  0.610905  1
  S  S144  1  0.000000  0.709545  0.500000  1
