# 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  0.086719  0.876095  0.499998  1
  W  W2  1  -0.000000  0.497873  0.499999  1
  W  W3  1  0.082303  0.622765  0.500000  1
  W  W4  1  0.170561  0.749847  0.500000  1
  W  W5  1  0.251136  0.875616  0.499994  1
  W  W6  1  0.000000  0.249100  0.499998  1
  W  W7  1  0.083389  0.373715  0.499999  1
  W  W8  1  0.166842  0.498386  0.500002  1
  W  W9  1  0.249701  0.624767  0.500004  1
  W  W10  1  0.334299  0.750475  0.500001  1
  W  W11  1  0.417108  0.875267  0.499998  1
  W  W12  1  0.000000  -0.000036  0.499999  1
  W  W13  1  0.083447  0.124552  0.499997  1
  W  W14  1  0.166802  0.249360  0.499998  1
  W  W15  1  0.250116  0.374365  0.500002  1
  W  W16  1  0.333316  0.499893  0.500008  1
  W  W17  1  0.416631  0.625108  0.500008  1
  W  W18  1  0.500000  0.750198  0.500005  1
  W  W19  1  0.582892  0.875266  0.500003  1
  W  W20  1  0.167280  0.000372  0.499995  1
  W  W21  1  0.250281  0.125021  0.499992  1
  W  W22  1  0.333484  0.249907  0.499995  1
  W  W23  1  0.416682  0.375060  0.500002  1
  W  W24  1  0.500000  0.500146  0.500009  1
  W  W25  1  0.583369  0.625107  0.500008  1
  W  W26  1  0.665701  0.750475  0.500007  1
  W  W27  1  0.748864  0.875616  0.500006  1
  W  W28  1  0.333869  0.000348  0.499993  1
  W  W29  1  0.416804  0.125206  0.499991  1
  W  W30  1  0.500000  0.250177  0.499996  1
  W  W31  1  0.583319  0.375059  0.500001  1
  W  W32  1  0.666684  0.499892  0.500005  1
  W  W33  1  0.750298  0.624767  0.500002  1
  W  W34  1  0.829438  0.749847  0.500003  1
  W  W35  1  0.913281  0.876095  0.500002  1
  W  W36  1  0.500000  0.000332  0.499995  1
  W  W37  1  0.583197  0.125206  0.499995  1
  W  W38  1  0.666516  0.249906  0.499995  1
  W  W39  1  0.749885  0.374364  0.499998  1
  W  W40  1  0.833158  0.498386  0.499999  1
  W  W41  1  0.917696  0.622765  0.500000  1
  W  W42  1  0.666132  0.000348  0.500000  1
  W  W43  1  0.749719  0.125020  0.499998  1
  W  W44  1  0.833198  0.249359  0.499995  1
  W  W45  1  0.916612  0.373715  0.499997  1
  W  W46  1  0.832720  0.000372  0.500000  1
  W  W47  1  0.916553  0.124551  0.500000  1
  S  S48  1  0.088160  0.792157  0.388751  1
  S  S49  1  0.168320  0.917583  0.388686  1
  S  S50  1  0.083478  0.539406  0.389281  1
  S  S51  1  0.165691  0.665921  0.390160  1
  S  S52  1  0.252085  0.792373  0.388439  1
  S  S53  1  0.334146  0.917146  0.389093  1
  S  S54  1  0.083377  0.290655  0.389159  1
  S  S55  1  0.166723  0.415460  0.389092  1
  S  S56  1  0.249825  0.541313  0.389410  1
  S  S57  1  0.333246  0.666736  0.389443  1
  S  S58  1  0.417211  0.791930  0.389061  1
  S  S59  1  0.500000  0.917045  0.389110  1
  S  S60  1  0.083385  0.041372  0.389208  1
  S  S61  1  0.166778  0.166230  0.389169  1
  S  S62  1  0.250101  0.291214  0.389186  1
  S  S63  1  0.333304  0.416580  0.389293  1
  S  S64  1  0.416602  0.541759  0.389314  1
  S  S65  1  0.500000  0.666721  0.389295  1
  S  S66  1  0.582789  0.791930  0.389060  1
  S  S67  1  0.665854  0.917146  0.389093  1
  S  S68  1  0.250517  0.041908  0.389177  1
  S  S69  1  0.333511  0.166734  0.389177  1
  S  S70  1  0.416698  0.291802  0.389230  1
  S  S71  1  0.500001  0.416831  0.389291  1
  S  S72  1  0.583397  0.541759  0.389312  1
  S  S73  1  0.666753  0.666736  0.389441  1
  S  S74  1  0.747915  0.792374  0.388438  1
  S  S75  1  0.831679  0.917582  0.388685  1
  S  S76  1  0.416911  0.042020  0.389116  1
  S  S77  1  0.500000  0.166937  0.389201  1
  S  S78  1  0.583302  0.291801  0.389229  1
  S  S79  1  0.666696  0.416579  0.389291  1
  S  S80  1  0.750175  0.541313  0.389409  1
  S  S81  1  0.834310  0.665922  0.390159  1
  S  S82  1  0.911839  0.792158  0.388751  1
  S  S83  1  -0.000001  0.916328  0.389378  1
  S  S84  1  0.583090  0.042020  0.389116  1
  S  S85  1  0.666490  0.166733  0.389177  1
  S  S86  1  0.749900  0.291213  0.389184  1
  S  S87  1  0.833278  0.415460  0.389092  1
  S  S88  1  0.916522  0.539407  0.389280  1
  S  S89  1  -0.000000  0.662246  0.389725  1
  S  S90  1  0.749483  0.041907  0.389176  1
  S  S91  1  0.833222  0.166228  0.389170  1
  S  S92  1  0.916625  0.290655  0.389157  1
  S  S93  1  0.000001  0.415025  0.388993  1
  S  S94  1  0.916615  0.041371  0.389209  1
  S  S95  1  -0.000001  0.165968  0.389208  1
  S  S96  1  0.088161  0.792158  0.611247  1
  S  S97  1  0.168320  0.917582  0.611314  1
  S  S98  1  0.083478  0.539407  0.610719  1
  S  S99  1  0.165690  0.665922  0.609838  1
  S  S100  1  0.252085  0.792374  0.611558  1
  S  S101  1  0.334145  0.917145  0.610907  1
  S  S102  1  0.083375  0.290655  0.610844  1
  S  S103  1  0.166722  0.415461  0.610908  1
  S  S104  1  0.249825  0.541314  0.610589  1
  S  S105  1  0.333247  0.666737  0.610551  1
  S  S106  1  0.417212  0.791929  0.610934  1
  S  S107  1  0.500000  0.917044  0.610892  1
  S  S108  1  0.083385  0.041371  0.610791  1
  S  S109  1  0.166778  0.166230  0.610832  1
  S  S110  1  0.250100  0.291215  0.610818  1
  S  S111  1  0.333302  0.416581  0.610709  1
  S  S112  1  0.416603  0.541761  0.610680  1
  S  S113  1  0.500000  0.666721  0.610695  1
  S  S114  1  0.582788  0.791928  0.610935  1
  S  S115  1  0.665855  0.917145  0.610907  1
  S  S116  1  0.250517  0.041907  0.610825  1
  S  S117  1  0.333509  0.166733  0.610829  1
  S  S118  1  0.416697  0.291802  0.610779  1
  S  S119  1  0.500000  0.416833  0.610711  1
  S  S120  1  0.583398  0.541760  0.610679  1
  S  S121  1  0.666753  0.666735  0.610551  1
  S  S122  1  0.747914  0.792373  0.611557  1
  S  S123  1  0.831680  0.917582  0.611313  1
  S  S124  1  0.416909  0.042019  0.610890  1
  S  S125  1  0.500000  0.166936  0.610811  1
  S  S126  1  0.583304  0.291802  0.610778  1
  S  S127  1  0.666699  0.416580  0.610709  1
  S  S128  1  0.750175  0.541314  0.610587  1
  S  S129  1  0.834308  0.665921  0.609837  1
  S  S130  1  0.911839  0.792158  0.611247  1
  S  S131  1  0.000000  0.916327  0.610623  1
  S  S132  1  0.583090  0.042019  0.610890  1
  S  S133  1  0.666491  0.166733  0.610829  1
  S  S134  1  0.749900  0.291214  0.610818  1
  S  S135  1  0.833277  0.415460  0.610908  1
  S  S136  1  0.916521  0.539405  0.610719  1
  S  S137  1  -0.000000  0.662246  0.610274  1
  S  S138  1  0.749484  0.041907  0.610826  1
  S  S139  1  0.833221  0.166229  0.610832  1
  S  S140  1  0.916624  0.290655  0.610842  1
  S  S141  1  -0.000000  0.415025  0.611007  1
  S  S142  1  0.916616  0.041370  0.610793  1
  S  S143  1  0.000000  0.165967  0.610794  1
  S  S144  1  -0.000000  0.784612  0.500000  1
