# 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  0.084661  0.875865  0.500003  1
  W  W2  1  0.000000  0.497542  0.500008  1
  W  W3  1  0.073413  0.622253  0.500001  1
  W  W4  1  0.168957  0.754006  0.500002  1
  W  W5  1  0.251794  0.876232  0.500003  1
  W  W6  1  0.000000  0.249104  0.500013  1
  W  W7  1  0.083221  0.374027  0.500012  1
  W  W8  1  0.168707  0.498067  0.500006  1
  W  W9  1  0.250991  0.625450  0.500001  1
  W  W10  1  0.334678  0.751345  0.500001  1
  W  W11  1  0.417331  0.876615  0.500002  1
  W  W12  1  -0.000000  -0.000669  0.500005  1
  W  W13  1  0.083392  0.124558  0.500010  1
  W  W14  1  0.166883  0.249623  0.500012  1
  W  W15  1  0.249648  0.375066  0.500006  1
  W  W16  1  0.333281  0.500757  0.500002  1
  W  W17  1  0.416461  0.626489  0.500000  1
  W  W18  1  0.500000  0.751467  0.499999  1
  W  W19  1  0.582669  0.876615  0.499999  1
  W  W20  1  0.168041  0.000779  0.500007  1
  W  W21  1  0.250457  0.125433  0.500008  1
  W  W22  1  0.333595  0.250558  0.500005  1
  W  W23  1  0.416965  0.375737  0.499999  1
  W  W24  1  0.500000  0.501026  0.499998  1
  W  W25  1  0.583539  0.626489  0.499998  1
  W  W26  1  0.665322  0.751345  0.499998  1
  W  W27  1  0.748206  0.876232  0.499998  1
  W  W28  1  0.334020  0.001303  0.500004  1
  W  W29  1  0.416870  0.126091  0.500001  1
  W  W30  1  0.500000  0.250973  0.499998  1
  W  W31  1  0.583035  0.375738  0.499997  1
  W  W32  1  0.666719  0.500758  0.499998  1
  W  W33  1  0.749009  0.625451  0.499999  1
  W  W34  1  0.831042  0.754007  0.500001  1
  W  W35  1  0.915339  0.875865  0.500000  1
  W  W36  1  0.500000  0.001374  0.500000  1
  W  W37  1  0.583130  0.126091  0.499998  1
  W  W38  1  0.666406  0.250558  0.500001  1
  W  W39  1  0.750352  0.375066  0.500003  1
  W  W40  1  0.831293  0.498067  0.500004  1
  W  W41  1  0.926587  0.622252  0.500001  1
  W  W42  1  0.665980  0.001303  0.499999  1
  W  W43  1  0.749543  0.125434  0.500002  1
  W  W44  1  0.833117  0.249623  0.500008  1
  W  W45  1  0.916779  0.374027  0.500010  1
  W  W46  1  0.831959  0.000779  0.500002  1
  W  W47  1  0.916608  0.124558  0.500008  1
  S  S48  1  0.087376  0.793180  0.390310  1
  S  S49  1  0.168012  0.917711  0.389283  1
  S  S50  1  0.084240  0.538831  0.388920  1
  S  S51  1  0.162925  0.666996  0.393561  1
  S  S52  1  0.252425  0.793290  0.388538  1
  S  S53  1  0.334279  0.918150  0.388941  1
  S  S54  1  0.083317  0.290748  0.389243  1
  S  S55  1  0.166432  0.415609  0.388447  1
  S  S56  1  0.250107  0.542442  0.389532  1
  S  S57  1  0.333172  0.667897  0.388854  1
  S  S58  1  0.417291  0.793199  0.389111  1
  S  S59  1  0.500000  0.918265  0.388897  1
  S  S60  1  0.083457  0.041225  0.389430  1
  S  S61  1  0.166696  0.166443  0.389265  1
  S  S62  1  0.250041  0.291773  0.389356  1
  S  S63  1  0.333384  0.417269  0.389357  1
  S  S64  1  0.416644  0.542771  0.389508  1
  S  S65  1  0.500000  0.667928  0.389313  1
  S  S66  1  0.582709  0.793199  0.389112  1
  S  S67  1  0.665721  0.918150  0.388943  1
  S  S68  1  0.250705  0.042458  0.388919  1
  S  S69  1  0.333516  0.167415  0.389218  1
  S  S70  1  0.416695  0.292496  0.389277  1
  S  S71  1  0.500000  0.417763  0.389299  1
  S  S72  1  0.583356  0.542771  0.389509  1
  S  S73  1  0.666828  0.667897  0.388855  1
  S  S74  1  0.747575  0.793290  0.388540  1
  S  S75  1  0.831987  0.917711  0.389285  1
  S  S76  1  0.416956  0.042964  0.389085  1
  S  S77  1  0.500000  0.167802  0.389156  1
  S  S78  1  0.583306  0.292496  0.389278  1
  S  S79  1  0.666617  0.417269  0.389359  1
  S  S80  1  0.749893  0.542442  0.389534  1
  S  S81  1  0.837075  0.666996  0.393562  1
  S  S82  1  0.912624  0.793180  0.390310  1
  S  S83  1  -0.000000  0.915683  0.389799  1
  S  S84  1  0.583045  0.042964  0.389085  1
  S  S85  1  0.666484  0.167415  0.389220  1
  S  S86  1  0.749959  0.291773  0.389359  1
  S  S87  1  0.833568  0.415609  0.388449  1
  S  S88  1  0.915760  0.538831  0.388920  1
  S  S89  1  -0.000000  0.655379  0.362723  1
  S  S90  1  0.749295  0.042458  0.388921  1
  S  S91  1  0.833304  0.166443  0.389268  1
  S  S92  1  0.916683  0.290748  0.389244  1
  S  S93  1  0.000000  0.415289  0.388485  1
  S  S94  1  0.916543  0.041225  0.389431  1
  S  S95  1  -0.000000  0.165934  0.389253  1
  S  S96  1  0.087376  0.793180  0.609690  1
  S  S97  1  0.168012  0.917711  0.610712  1
  S  S98  1  0.084239  0.538829  0.611075  1
  S  S99  1  0.162925  0.666995  0.606439  1
  S  S100  1  0.252425  0.793291  0.611461  1
  S  S101  1  0.334279  0.918151  0.611058  1
  S  S102  1  0.083317  0.290748  0.610745  1
  S  S103  1  0.166432  0.415610  0.611545  1
  S  S104  1  0.250107  0.542441  0.610463  1
  S  S105  1  0.333172  0.667896  0.611145  1
  S  S106  1  0.417291  0.793199  0.610890  1
  S  S107  1  0.500000  0.918267  0.611105  1
  S  S108  1  0.083458  0.041225  0.610561  1
  S  S109  1  0.166695  0.166443  0.610722  1
  S  S110  1  0.250041  0.291772  0.610638  1
  S  S111  1  0.333382  0.417269  0.610639  1
  S  S112  1  0.416644  0.542771  0.610491  1
  S  S113  1  0.500000  0.667928  0.610687  1
  S  S114  1  0.582708  0.793199  0.610891  1
  S  S115  1  0.665721  0.918151  0.611060  1
  S  S116  1  0.250704  0.042459  0.611074  1
  S  S117  1  0.333515  0.167414  0.610777  1
  S  S118  1  0.416694  0.292497  0.610723  1
  S  S119  1  0.500000  0.417763  0.610701  1
  S  S120  1  0.583356  0.542771  0.610491  1
  S  S121  1  0.666828  0.667896  0.611146  1
  S  S122  1  0.747575  0.793291  0.611463  1
  S  S123  1  0.831988  0.917711  0.610714  1
  S  S124  1  0.416956  0.042964  0.610912  1
  S  S125  1  0.500000  0.167801  0.610844  1
  S  S126  1  0.583306  0.292497  0.610724  1
  S  S127  1  0.666617  0.417271  0.610640  1
  S  S128  1  0.749893  0.542441  0.610465  1
  S  S129  1  0.837075  0.666995  0.606440  1
  S  S130  1  0.912624  0.793180  0.609690  1
  S  S131  1  0.000000  0.915684  0.610197  1
  S  S132  1  0.583044  0.042964  0.610912  1
  S  S133  1  0.666485  0.167414  0.610780  1
  S  S134  1  0.749960  0.291773  0.610639  1
  S  S135  1  0.833569  0.415610  0.611546  1
  S  S136  1  0.915761  0.538830  0.611076  1
  S  S137  1  -0.000000  0.655379  0.637279  1
  S  S138  1  0.749296  0.042459  0.611076  1
  S  S139  1  0.833305  0.166443  0.610725  1
  S  S140  1  0.916684  0.290748  0.610747  1
  S  S141  1  0.000000  0.415289  0.611507  1
  S  S142  1  0.916543  0.041225  0.610562  1
  S  S143  1  0.000000  0.165934  0.610735  1
  S  S144  1  -0.000000  0.709143  0.500000  1
