# 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  0.086935  0.877914  0.500008  1
  W  W2  1  0.000639  0.498831  0.500004  1
  W  W3  1  0.085326  0.622123  0.500002  1
  W  W4  1  0.170031  0.749761  0.500000  1
  W  W5  1  0.250919  0.875153  0.499996  1
  W  W6  1  0.999976  0.250150  0.500008  1
  W  W7  1  0.083813  0.374523  0.500007  1
  W  W8  1  0.167610  0.498886  0.500002  1
  W  W9  1  0.251251  0.624135  0.499996  1
  W  W10  1  0.334241  0.749742  0.499992  1
  W  W11  1  0.416612  0.875130  0.499988  1
  W  W12  1  0.999373  0.999765  0.500012  1
  W  W13  1  0.083459  0.125294  0.500006  1
  W  W14  1  0.166633  0.249932  0.500002  1
  W  W15  1  0.250411  0.374633  0.500001  1
  W  W16  1  0.333994  0.499523  0.499997  1
  W  W17  1  0.417213  0.624428  0.499995  1
  W  W18  1  0.499516  0.749762  0.499993  1
  W  W19  1  0.581964  0.875624  0.499993  1
  W  W20  1  0.166814  0.000823  0.500002  1
  W  W21  1  0.249967  0.125635  0.499995  1
  W  W22  1  0.333468  0.250293  0.499991  1
  W  W23  1  0.416831  0.374822  0.499994  1
  W  W24  1  0.500177  0.499664  0.499998  1
  W  W25  1  0.583277  0.624957  0.500000  1
  W  W26  1  0.664770  0.750011  0.500003  1
  W  W27  1  0.747405  0.876386  0.500006  1
  W  W28  1  0.333389  0.000695  0.499990  1
  W  W29  1  0.416361  0.125461  0.499986  1
  W  W30  1  0.499831  0.250299  0.499987  1
  W  W31  1  0.583290  0.375163  0.499993  1
  W  W32  1  0.666726  0.499687  0.499999  1
  W  W33  1  0.750306  0.625475  0.500004  1
  W  W34  1  0.829147  0.753953  0.500010  1
  W  W35  1  0.910538  0.876367  0.500023  1
  W  W36  1  0.499383  0.000507  0.499985  1
  W  W37  1  0.582789  0.125693  0.499989  1
  W  W38  1  0.666222  0.250262  0.499993  1
  W  W39  1  0.749592  0.374752  0.499998  1
  W  W40  1  0.832892  0.499314  0.500003  1
  W  W41  1  0.915731  0.620452  0.500004  1
  W  W42  1  0.665260  0.001021  0.499995  1
  W  W43  1  0.749358  0.125922  0.499998  1
  W  W44  1  0.833174  0.250217  0.500003  1
  W  W45  1  0.916409  0.374487  0.500007  1
  W  W46  1  0.832088  0.001736  0.500005  1
  W  W47  1  0.916166  0.125328  0.500007  1
  S  S48  1  0.086839  0.795236  0.389784  1
  S  S49  1  0.169158  0.918262  0.388267  1
  S  S50  1  0.084482  0.539866  0.388810  1
  S  S51  1  0.168154  0.665735  0.388443  1
  S  S52  1  0.251724  0.791644  0.388813  1
  S  S53  1  0.333810  0.917222  0.389155  1
  S  S54  1  0.083418  0.291475  0.389032  1
  S  S55  1  0.167252  0.415859  0.388928  1
  S  S56  1  0.250878  0.540882  0.389068  1
  S  S57  1  0.334220  0.666167  0.389148  1
  S  S58  1  0.416869  0.791707  0.388942  1
  S  S59  1  0.499224  0.917221  0.388910  1
  S  S60  1  0.082818  0.041946  0.389331  1
  S  S61  1  0.166633  0.166886  0.388928  1
  S  S62  1  0.250061  0.291499  0.389080  1
  S  S63  1  0.333685  0.416327  0.389055  1
  S  S64  1  0.417155  0.541188  0.388990  1
  S  S65  1  0.500075  0.666349  0.389002  1
  S  S66  1  0.581974  0.792038  0.389137  1
  S  S67  1  0.664713  0.917795  0.388901  1
  S  S68  1  0.250114  0.042504  0.389163  1
  S  S69  1  0.333264  0.167171  0.389044  1
  S  S70  1  0.416739  0.291769  0.388934  1
  S  S71  1  0.500012  0.416518  0.389013  1
  S  S72  1  0.583423  0.541483  0.389292  1
  S  S73  1  0.666549  0.666526  0.389140  1
  S  S74  1  0.745777  0.793246  0.388452  1
  S  S75  1  0.829579  0.919320  0.388499  1
  S  S76  1  0.416427  0.042283  0.388967  1
  S  S77  1  0.499583  0.167146  0.389040  1
  S  S78  1  0.583103  0.291965  0.389074  1
  S  S79  1  0.666568  0.416544  0.388952  1
  S  S80  1  0.749780  0.541809  0.389328  1
  S  S81  1  0.834548  0.668021  0.390962  1
  S  S82  1  0.909195  0.795492  0.389795  1
  S  S83  1  0.998981  0.915319  0.390932  1
  S  S84  1  0.582368  0.042534  0.388988  1
  S  S85  1  0.666115  0.167239  0.388973  1
  S  S86  1  0.749650  0.291596  0.389101  1
  S  S87  1  0.832878  0.416056  0.389158  1
  S  S88  1  0.916642  0.538618  0.388243  1
  S  S89  1  0.998319  0.661695  0.389729  1
  S  S90  1  0.748637  0.042918  0.389145  1
  S  S91  1  0.833042  0.167112  0.389054  1
  S  S92  1  0.916590  0.291492  0.388986  1
  S  S93  1  0.000210  0.415624  0.389180  1
  S  S94  1  0.916417  0.042100  0.389139  1
  S  S95  1  0.999845  0.166825  0.389351  1
  S  S96  1  0.086842  0.795233  0.610223  1
  S  S97  1  0.169165  0.918263  0.611736  1
  S  S98  1  0.084484  0.539867  0.611200  1
  S  S99  1  0.168158  0.665736  0.611558  1
  S  S100  1  0.251728  0.791646  0.611180  1
  S  S101  1  0.333815  0.917223  0.610827  1
  S  S102  1  0.083422  0.291473  0.610984  1
  S  S103  1  0.167256  0.415860  0.611085  1
  S  S104  1  0.250880  0.540884  0.610933  1
  S  S105  1  0.334221  0.666169  0.610844  1
  S  S106  1  0.416869  0.791710  0.611039  1
  S  S107  1  0.499221  0.917226  0.611064  1
  S  S108  1  0.082825  0.041947  0.610682  1
  S  S109  1  0.166641  0.166885  0.611074  1
  S  S110  1  0.250068  0.291496  0.610920  1
  S  S111  1  0.333688  0.416327  0.610947  1
  S  S112  1  0.417154  0.541190  0.611008  1
  S  S113  1  0.500072  0.666353  0.610992  1
  S  S114  1  0.581968  0.792041  0.610855  1
  S  S115  1  0.664704  0.917798  0.611094  1
  S  S116  1  0.250122  0.042505  0.610826  1
  S  S117  1  0.333269  0.167170  0.610936  1
  S  S118  1  0.416742  0.291765  0.611049  1
  S  S119  1  0.500013  0.416515  0.610983  1
  S  S120  1  0.583423  0.541483  0.610712  1
  S  S121  1  0.666546  0.666527  0.610867  1
  S  S122  1  0.745772  0.793248  0.611562  1
  S  S123  1  0.829570  0.919329  0.611520  1
  S  S124  1  0.416433  0.042284  0.611002  1
  S  S125  1  0.499582  0.167145  0.610934  1
  S  S126  1  0.583099  0.291963  0.610910  1
  S  S127  1  0.666565  0.416542  0.611046  1
  S  S128  1  0.749777  0.541808  0.610680  1
  S  S129  1  0.834548  0.668019  0.609052  1
  S  S130  1  0.909187  0.795499  0.610250  1
  S  S131  1  0.998986  0.915320  0.609098  1
  S  S132  1  0.582362  0.042536  0.610990  1
  S  S133  1  0.666109  0.167238  0.611013  1
  S  S134  1  0.749643  0.291596  0.610899  1
  S  S135  1  0.832872  0.416056  0.610852  1
  S  S136  1  0.916641  0.538618  0.611767  1
  S  S137  1  0.998318  0.661697  0.610278  1
  S  S138  1  0.748628  0.042920  0.610850  1
  S  S139  1  0.833035  0.167111  0.610952  1
  S  S140  1  0.916587  0.291491  0.611030  1
  S  S141  1  0.000210  0.415625  0.610837  1
  S  S142  1  0.916413  0.042101  0.610876  1
  S  S143  1  0.999845  0.166824  0.610663  1
  S  S144  1  0.033747  0.732859  0.500000  1
