# 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  0.084615  0.875996  0.500002  1
  W  W2  1  0.000001  0.496866  0.500003  1
  W  W3  1  0.076071  0.622045  0.499998  1
  W  W4  1  0.168995  0.754410  0.499999  1
  W  W5  1  0.251825  0.876412  0.500003  1
  W  W6  1  -0.000000  0.248985  0.500005  1
  W  W7  1  0.083246  0.373681  0.500007  1
  W  W8  1  0.168082  0.498210  0.500003  1
  W  W9  1  0.249502  0.625630  0.499999  1
  W  W10  1  0.334538  0.751455  0.500002  1
  W  W11  1  0.417289  0.876632  0.500003  1
  W  W12  1  -0.000000  -0.000591  0.500003  1
  W  W13  1  0.083446  0.124576  0.500005  1
  W  W14  1  0.166965  0.249545  0.500012  1
  W  W15  1  0.250022  0.374823  0.500009  1
  W  W16  1  0.333053  0.500808  0.500004  1
  W  W17  1  0.416372  0.626247  0.500002  1
  W  W18  1  0.500000  0.751382  0.500000  1
  W  W19  1  0.582710  0.876632  0.500001  1
  W  W20  1  0.168040  0.000876  0.500006  1
  W  W21  1  0.250537  0.125476  0.500011  1
  W  W22  1  0.333604  0.250622  0.500013  1
  W  W23  1  0.416837  0.375916  0.500009  1
  W  W24  1  0.500000  0.501047  0.500006  1
  W  W25  1  0.583628  0.626247  0.500001  1
  W  W26  1  0.665462  0.751455  0.499999  1
  W  W27  1  0.748176  0.876412  0.500001  1
  W  W28  1  0.334088  0.001384  0.500006  1
  W  W29  1  0.416942  0.126202  0.500011  1
  W  W30  1  0.500000  0.251116  0.500010  1
  W  W31  1  0.583163  0.375916  0.500007  1
  W  W32  1  0.666947  0.500808  0.500003  1
  W  W33  1  0.750497  0.625630  0.499999  1
  W  W34  1  0.831004  0.754410  0.499999  1
  W  W35  1  0.915384  0.875996  0.500000  1
  W  W36  1  0.500000  0.001468  0.500005  1
  W  W37  1  0.583058  0.126202  0.500008  1
  W  W38  1  0.666396  0.250622  0.500008  1
  W  W39  1  0.749978  0.374823  0.500005  1
  W  W40  1  0.831919  0.498210  0.500002  1
  W  W41  1  0.923929  0.622045  0.499998  1
  W  W42  1  0.665912  0.001385  0.500003  1
  W  W43  1  0.749463  0.125476  0.500006  1
  W  W44  1  0.833036  0.249545  0.500008  1
  W  W45  1  0.916753  0.373681  0.500005  1
  W  W46  1  0.831960  0.000876  0.500003  1
  W  W47  1  0.916554  0.124576  0.500003  1
  S  S48  1  0.087111  0.793365  0.390624  1
  S  S49  1  0.168056  0.917862  0.389290  1
  S  S50  1  0.083831  0.538502  0.389417  1
  S  S51  1  0.163136  0.668046  0.392650  1
  S  S52  1  0.252537  0.793577  0.388429  1
  S  S53  1  0.334329  0.918264  0.388926  1
  S  S54  1  0.083393  0.290523  0.389186  1
  S  S55  1  0.166643  0.415432  0.388851  1
  S  S56  1  0.249664  0.542488  0.389419  1
  S  S57  1  0.332685  0.667749  0.389413  1
  S  S58  1  0.417276  0.793177  0.389131  1
  S  S59  1  0.500000  0.918303  0.388938  1
  S  S60  1  0.083489  0.041268  0.389419  1
  S  S61  1  0.166777  0.166381  0.389259  1
  S  S62  1  0.250120  0.291643  0.389223  1
  S  S63  1  0.333300  0.417375  0.389348  1
  S  S64  1  0.416488  0.542731  0.389487  1
  S  S65  1  0.500000  0.667811  0.389412  1
  S  S66  1  0.582725  0.793177  0.389132  1
  S  S67  1  0.665671  0.918265  0.388929  1
  S  S68  1  0.250760  0.042510  0.388918  1
  S  S69  1  0.333589  0.167474  0.389201  1
  S  S70  1  0.416711  0.292654  0.389249  1
  S  S71  1  0.500000  0.417816  0.389271  1
  S  S72  1  0.583512  0.542731  0.389488  1
  S  S73  1  0.667315  0.667749  0.389414  1
  S  S74  1  0.747464  0.793577  0.388431  1
  S  S75  1  0.831944  0.917862  0.389292  1
  S  S76  1  0.416997  0.043072  0.389053  1
  S  S77  1  0.500000  0.167961  0.389132  1
  S  S78  1  0.583288  0.292654  0.389250  1
  S  S79  1  0.666700  0.417376  0.389349  1
  S  S80  1  0.750336  0.542489  0.389419  1
  S  S81  1  0.836864  0.668046  0.392651  1
  S  S82  1  0.912889  0.793365  0.390625  1
  S  S83  1  -0.000000  0.915841  0.389736  1
  S  S84  1  0.583003  0.043072  0.389054  1
  S  S85  1  0.666410  0.167474  0.389202  1
  S  S86  1  0.749879  0.291643  0.389224  1
  S  S87  1  0.833357  0.415433  0.388852  1
  S  S88  1  0.916171  0.538501  0.389419  1
  S  S89  1  -0.000000  0.652785  0.365475  1
  S  S90  1  0.749240  0.042509  0.388920  1
  S  S91  1  0.833224  0.166381  0.389259  1
  S  S92  1  0.916607  0.290523  0.389186  1
  S  S93  1  0.000000  0.414640  0.388425  1
  S  S94  1  0.916510  0.041268  0.389420  1
  S  S95  1  -0.000000  0.165860  0.389213  1
  S  S96  1  0.087111  0.793364  0.609370  1
  S  S97  1  0.168056  0.917862  0.610704  1
  S  S98  1  0.083830  0.538501  0.610576  1
  S  S99  1  0.163136  0.668046  0.607345  1
  S  S100  1  0.252535  0.793577  0.611564  1
  S  S101  1  0.334328  0.918263  0.611068  1
  S  S102  1  0.083392  0.290523  0.610807  1
  S  S103  1  0.166643  0.415432  0.611141  1
  S  S104  1  0.249664  0.542489  0.610576  1
  S  S105  1  0.332684  0.667749  0.610583  1
  S  S106  1  0.417275  0.793177  0.610866  1
  S  S107  1  0.500000  0.918304  0.611059  1
  S  S108  1  0.083489  0.041268  0.610575  1
  S  S109  1  0.166775  0.166381  0.610738  1
  S  S110  1  0.250120  0.291644  0.610769  1
  S  S111  1  0.333298  0.417376  0.610645  1
  S  S112  1  0.416487  0.542731  0.610508  1
  S  S113  1  0.500000  0.667810  0.610587  1
  S  S114  1  0.582724  0.793177  0.610866  1
  S  S115  1  0.665672  0.918263  0.611070  1
  S  S116  1  0.250759  0.042508  0.611078  1
  S  S117  1  0.333590  0.167475  0.610797  1
  S  S118  1  0.416710  0.292655  0.610747  1
  S  S119  1  0.500000  0.417816  0.610728  1
  S  S120  1  0.583513  0.542731  0.610509  1
  S  S121  1  0.667316  0.667749  0.610584  1
  S  S122  1  0.747464  0.793577  0.611567  1
  S  S123  1  0.831944  0.917862  0.610706  1
  S  S124  1  0.416997  0.043071  0.610944  1
  S  S125  1  0.500000  0.167960  0.610868  1
  S  S126  1  0.583290  0.292655  0.610748  1
  S  S127  1  0.666702  0.417376  0.610646  1
  S  S128  1  0.750337  0.542488  0.610576  1
  S  S129  1  0.836864  0.668046  0.607346  1
  S  S130  1  0.912888  0.793365  0.609372  1
  S  S131  1  -0.000000  0.915839  0.610260  1
  S  S132  1  0.583003  0.043071  0.610945  1
  S  S133  1  0.666411  0.167476  0.610797  1
  S  S134  1  0.749880  0.291643  0.610770  1
  S  S135  1  0.833357  0.415432  0.611141  1
  S  S136  1  0.916171  0.538500  0.610576  1
  S  S137  1  -0.000000  0.652785  0.634522  1
  S  S138  1  0.749241  0.042509  0.611079  1
  S  S139  1  0.833224  0.166382  0.610738  1
  S  S140  1  0.916608  0.290523  0.610807  1
  S  S141  1  0.000000  0.414640  0.611566  1
  S  S142  1  0.916511  0.041268  0.610576  1
  S  S143  1  -0.000000  0.165861  0.610782  1
  S  S144  1  -0.000000  0.709466  0.500000  1
