# 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  0.086794  0.876925  0.500001  1
  W  W2  1  0.000000  0.497470  0.500004  1
  W  W3  1  0.081922  0.622028  0.500004  1
  W  W4  1  0.170496  0.749834  0.500003  1
  W  W5  1  0.251180  0.875877  0.500002  1
  W  W6  1  0.000000  0.249236  0.500005  1
  W  W7  1  0.083443  0.373661  0.500006  1
  W  W8  1  0.167226  0.498104  0.500007  1
  W  W9  1  0.249691  0.624563  0.500005  1
  W  W10  1  0.334692  0.750119  0.500004  1
  W  W11  1  0.417118  0.875191  0.500004  1
  W  W12  1  0.000000  0.000463  0.499998  1
  W  W13  1  0.083500  0.124853  0.500002  1
  W  W14  1  0.166881  0.249467  0.500005  1
  W  W15  1  0.250249  0.374256  0.500005  1
  W  W16  1  0.333406  0.499770  0.500006  1
  W  W17  1  0.416696  0.624846  0.500006  1
  W  W18  1  0.500000  0.749981  0.500003  1
  W  W19  1  0.582882  0.875191  0.500001  1
  W  W20  1  0.167328  0.000676  0.500001  1
  W  W21  1  0.250337  0.125181  0.500003  1
  W  W22  1  0.333569  0.249919  0.500004  1
  W  W23  1  0.416750  0.374976  0.500004  1
  W  W24  1  0.500000  0.499946  0.500004  1
  W  W25  1  0.583304  0.624846  0.500003  1
  W  W26  1  0.665308  0.750119  0.499998  1
  W  W27  1  0.748820  0.875877  0.499998  1
  W  W28  1  0.333893  0.000454  0.500002  1
  W  W29  1  0.416842  0.125242  0.500004  1
  W  W30  1  0.500000  0.250151  0.500004  1
  W  W31  1  0.583250  0.374976  0.500003  1
  W  W32  1  0.666594  0.499771  0.500003  1
  W  W33  1  0.750308  0.624563  0.500001  1
  W  W34  1  0.829505  0.749834  0.499999  1
  W  W35  1  0.913206  0.876925  0.499999  1
  W  W36  1  0.500000  0.000335  0.500003  1
  W  W37  1  0.583158  0.125242  0.500004  1
  W  W38  1  0.666430  0.249919  0.500005  1
  W  W39  1  0.749751  0.374256  0.500004  1
  W  W40  1  0.832774  0.498103  0.500003  1
  W  W41  1  0.918073  0.622029  0.500001  1
  W  W42  1  0.666108  0.000455  0.500000  1
  W  W43  1  0.749663  0.125181  0.500003  1
  W  W44  1  0.833119  0.249467  0.500005  1
  W  W45  1  0.916558  0.373661  0.500006  1
  W  W46  1  0.832672  0.000676  0.499999  1
  W  W47  1  0.916499  0.124854  0.500003  1
  S  S48  1  0.088994  0.792569  0.389752  1
  S  S49  1  0.168491  0.918003  0.388531  1
  S  S50  1  0.083755  0.538630  0.389164  1
  S  S51  1  0.165784  0.665988  0.390238  1
  S  S52  1  0.252503  0.792378  0.389007  1
  S  S53  1  0.334231  0.917245  0.389078  1
  S  S54  1  0.083422  0.290667  0.389094  1
  S  S55  1  0.166897  0.415212  0.389021  1
  S  S56  1  0.249981  0.541110  0.389307  1
  S  S57  1  0.333352  0.666468  0.389410  1
  S  S58  1  0.417360  0.791826  0.388993  1
  S  S59  1  0.500000  0.917026  0.389120  1
  S  S60  1  0.083440  0.041767  0.389171  1
  S  S61  1  0.166865  0.166419  0.389106  1
  S  S62  1  0.250219  0.291174  0.389100  1
  S  S63  1  0.333408  0.416460  0.389246  1
  S  S64  1  0.416678  0.541547  0.389227  1
  S  S65  1  0.500000  0.666500  0.389228  1
  S  S66  1  0.582640  0.791826  0.388993  1
  S  S67  1  0.665769  0.917245  0.389077  1
  S  S68  1  0.250606  0.042131  0.389126  1
  S  S69  1  0.333601  0.166792  0.389125  1
  S  S70  1  0.416754  0.291758  0.389164  1
  S  S71  1  0.500000  0.416685  0.389194  1
  S  S72  1  0.583322  0.541547  0.389228  1
  S  S73  1  0.666647  0.666467  0.389411  1
  S  S74  1  0.747497  0.792378  0.389008  1
  S  S75  1  0.831509  0.918003  0.388531  1
  S  S76  1  0.416954  0.042074  0.389080  1
  S  S77  1  0.500000  0.166951  0.389134  1
  S  S78  1  0.583246  0.291758  0.389164  1
  S  S79  1  0.666592  0.416460  0.389246  1
  S  S80  1  0.750019  0.541110  0.389307  1
  S  S81  1  0.834216  0.665988  0.390239  1
  S  S82  1  0.911006  0.792569  0.389752  1
  S  S83  1  0.000001  0.916963  0.389199  1
  S  S84  1  0.583045  0.042074  0.389080  1
  S  S85  1  0.666399  0.166792  0.389125  1
  S  S86  1  0.749781  0.291174  0.389100  1
  S  S87  1  0.833103  0.415212  0.389021  1
  S  S88  1  0.916245  0.538630  0.389165  1
  S  S89  1  0.000001  0.661884  0.391271  1
  S  S90  1  0.749394  0.042131  0.389125  1
  S  S91  1  0.833135  0.166420  0.389106  1
  S  S92  1  0.916578  0.290667  0.389094  1
  S  S93  1  0.000000  0.414789  0.388905  1
  S  S94  1  0.916560  0.041767  0.389171  1
  S  S95  1  -0.000000  0.166199  0.389139  1
  S  S96  1  0.088994  0.792569  0.610248  1
  S  S97  1  0.168491  0.918004  0.611468  1
  S  S98  1  0.083754  0.538630  0.610833  1
  S  S99  1  0.165784  0.665989  0.609762  1
  S  S100  1  0.252504  0.792378  0.610989  1
  S  S101  1  0.334232  0.917246  0.610920  1
  S  S102  1  0.083422  0.290666  0.610901  1
  S  S103  1  0.166897  0.415212  0.610976  1
  S  S104  1  0.249981  0.541110  0.610692  1
  S  S105  1  0.333353  0.666469  0.610587  1
  S  S106  1  0.417360  0.791825  0.611003  1
  S  S107  1  0.500000  0.917026  0.610876  1
  S  S108  1  0.083440  0.041767  0.610826  1
  S  S109  1  0.166864  0.166418  0.610888  1
  S  S110  1  0.250218  0.291174  0.610896  1
  S  S111  1  0.333407  0.416459  0.610753  1
  S  S112  1  0.416677  0.541548  0.610773  1
  S  S113  1  0.500000  0.666501  0.610768  1
  S  S114  1  0.582640  0.791825  0.611003  1
  S  S115  1  0.665769  0.917246  0.610920  1
  S  S116  1  0.250607  0.042131  0.610870  1
  S  S117  1  0.333601  0.166792  0.610870  1
  S  S118  1  0.416754  0.291757  0.610833  1
  S  S119  1  0.500000  0.416685  0.610806  1
  S  S120  1  0.583322  0.541548  0.610773  1
  S  S121  1  0.666648  0.666469  0.610586  1
  S  S122  1  0.747496  0.792378  0.610990  1
  S  S123  1  0.831509  0.918004  0.611468  1
  S  S124  1  0.416954  0.042074  0.610915  1
  S  S125  1  0.500000  0.166951  0.610862  1
  S  S126  1  0.583246  0.291757  0.610833  1
  S  S127  1  0.666593  0.416459  0.610754  1
  S  S128  1  0.750019  0.541110  0.610693  1
  S  S129  1  0.834216  0.665988  0.609761  1
  S  S130  1  0.911005  0.792569  0.610248  1
  S  S131  1  0.000000  0.916964  0.610799  1
  S  S132  1  0.583046  0.042074  0.610915  1
  S  S133  1  0.666399  0.166791  0.610869  1
  S  S134  1  0.749782  0.291174  0.610896  1
  S  S135  1  0.833103  0.415211  0.610977  1
  S  S136  1  0.916246  0.538630  0.610833  1
  S  S137  1  -0.000000  0.661884  0.608728  1
  S  S138  1  0.749393  0.042131  0.610869  1
  S  S139  1  0.833135  0.166419  0.610888  1
  S  S140  1  0.916579  0.290667  0.610901  1
  S  S141  1  0.000000  0.414788  0.611091  1
  S  S142  1  0.916560  0.041767  0.610825  1
  S  S143  1  0.000000  0.166199  0.610855  1
  S  S144  1  0.000000  0.785695  0.500001  1
