# generated using pymatgen
data_W47S96N
_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   W47S96N
_chemical_formula_sum   'W47 S96 N1'
_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  0.083320  0.873942  0.500004  1
  W  W2  1  0.000467  0.498191  0.499998  1
  W  W3  1  0.086678  0.621787  0.499999  1
  W  W4  1  0.167366  0.750542  0.500003  1
  W  W5  1  0.251222  0.875522  0.500008  1
  W  W6  1  0.000195  0.249103  0.500001  1
  W  W7  1  0.083948  0.373689  0.499998  1
  W  W8  1  0.166123  0.498892  0.499999  1
  W  W9  1  0.250450  0.625142  0.500002  1
  W  W10  1  0.334539  0.750794  0.500006  1
  W  W11  1  0.417206  0.875863  0.500008  1
  W  W12  1  0.000173  -0.000465  0.500004  1
  W  W13  1  0.083691  0.124428  0.500006  1
  W  W14  1  0.167087  0.249280  0.500001  1
  W  W15  1  0.250324  0.374539  0.499998  1
  W  W16  1  0.333627  0.500098  0.499999  1
  W  W17  1  0.417630  0.625415  0.500003  1
  W  W18  1  0.500544  0.750820  0.500006  1
  W  W19  1  0.583071  0.876267  0.500006  1
  W  W20  1  0.167492  -0.000252  0.500007  1
  W  W21  1  0.250412  0.124870  0.500006  1
  W  W22  1  0.333572  0.250060  0.500000  1
  W  W23  1  0.416984  0.375315  0.499996  1
  W  W24  1  0.500559  0.500464  0.499998  1
  W  W25  1  0.584608  0.625666  0.500001  1
  W  W26  1  0.666269  0.750861  0.500003  1
  W  W27  1  0.748486  0.876833  0.500004  1
  W  W28  1  0.333970  0.000480  0.500009  1
  W  W29  1  0.416891  0.125575  0.500003  1
  W  W30  1  0.500036  0.250565  0.499996  1
  W  W31  1  0.583672  0.375544  0.499994  1
  W  W32  1  0.667586  0.500391  0.499997  1
  W  W33  1  0.751750  0.625471  0.500000  1
  W  W34  1  0.835937  0.755136  0.500000  1
  W  W35  1  0.914191  0.877967  0.500001  1
  W  W36  1  0.499873  0.000874  0.500006  1
  W  W37  1  0.582975  0.125878  0.500000  1
  W  W38  1  0.666490  0.250361  0.499995  1
  W  W39  1  0.750071  0.374593  0.499995  1
  W  W40  1  0.833740  0.498841  0.499998  1
  W  W41  1  0.919926  0.618665  0.499999  1
  W  W42  1  0.665796  0.001151  0.500003  1
  W  W43  1  0.749324  0.125686  0.500000  1
  W  W44  1  0.833364  0.249631  0.499998  1
  W  W45  1  0.917180  0.373722  0.499998  1
  W  W46  1  0.831647  0.001358  0.500004  1
  W  W47  1  0.916620  0.124679  0.500003  1
  S  S48  1  0.085086  0.791449  0.389179  1
  S  S49  1  0.166978  0.916190  0.389726  1
  S  S50  1  0.083401  0.539968  0.387446  1
  S  S51  1  0.167823  0.667480  0.389584  1
  S  S52  1  0.250940  0.792230  0.389595  1
  S  S53  1  0.334025  0.917312  0.388997  1
  S  S54  1  0.083689  0.290532  0.389207  1
  S  S55  1  0.166990  0.415819  0.389194  1
  S  S56  1  0.249943  0.541449  0.389677  1
  S  S57  1  0.334060  0.666972  0.389585  1
  S  S58  1  0.417341  0.792451  0.389142  1
  S  S59  1  0.499990  0.917650  0.389051  1
  S  S60  1  0.083633  0.041034  0.389389  1
  S  S61  1  0.166941  0.166054  0.389233  1
  S  S62  1  0.250226  0.291304  0.389244  1
  S  S63  1  0.333535  0.416806  0.389380  1
  S  S64  1  0.417090  0.542072  0.389462  1
  S  S65  1  0.501020  0.667295  0.389464  1
  S  S66  1  0.583439  0.792753  0.389236  1
  S  S67  1  0.665760  0.918032  0.388758  1
  S  S68  1  0.250401  0.041535  0.389174  1
  S  S69  1  0.333478  0.166802  0.389234  1
  S  S70  1  0.416750  0.292066  0.389259  1
  S  S71  1  0.500332  0.417195  0.389343  1
  S  S72  1  0.584173  0.542230  0.389498  1
  S  S73  1  0.668372  0.667241  0.389440  1
  S  S74  1  0.749359  0.792986  0.390191  1
  S  S75  1  0.830983  0.919078  0.388503  1
  S  S76  1  0.416804  0.042368  0.389104  1
  S  S77  1  0.499893  0.167414  0.389142  1
  S  S78  1  0.583362  0.292281  0.389293  1
  S  S79  1  0.667167  0.417048  0.389317  1
  S  S80  1  0.751127  0.542145  0.389452  1
  S  S81  1  0.836801  0.667872  0.390886  1
  S  S82  1  0.910804  0.798072  0.385268  1
  S  S83  1  0.000300  0.916040  0.390032  1
  S  S84  1  0.582834  0.042686  0.389085  1
  S  S85  1  0.666259  0.167318  0.389114  1
  S  S86  1  0.750061  0.291446  0.389235  1
  S  S87  1  0.833626  0.415558  0.389373  1
  S  S88  1  0.917368  0.538398  0.387178  1
  S  S89  1  0.002279  0.673638  0.402056  1
  S  S90  1  0.748906  0.042781  0.388933  1
  S  S91  1  0.833297  0.166469  0.389295  1
  S  S92  1  0.916913  0.290687  0.389134  1
  S  S93  1  0.000669  0.415078  0.389224  1
  S  S94  1  0.916615  0.041492  0.389346  1
  S  S95  1  0.000200  0.165868  0.389342  1
  S  S96  1  0.085085  0.791448  0.610815  1
  S  S97  1  0.166978  0.916190  0.610269  1
  S  S98  1  0.083401  0.539968  0.612554  1
  S  S99  1  0.167824  0.667480  0.610414  1
  S  S100  1  0.250940  0.792229  0.610400  1
  S  S101  1  0.334026  0.917311  0.610998  1
  S  S102  1  0.083689  0.290532  0.610793  1
  S  S103  1  0.166990  0.415819  0.610805  1
  S  S104  1  0.249943  0.541449  0.610322  1
  S  S105  1  0.334060  0.666972  0.610411  1
  S  S106  1  0.417342  0.792451  0.610852  1
  S  S107  1  0.499990  0.917650  0.610943  1
  S  S108  1  0.083633  0.041034  0.610606  1
  S  S109  1  0.166941  0.166054  0.610763  1
  S  S110  1  0.250225  0.291304  0.610757  1
  S  S111  1  0.333535  0.416806  0.610621  1
  S  S112  1  0.417089  0.542071  0.610537  1
  S  S113  1  0.501020  0.667295  0.610531  1
  S  S114  1  0.583439  0.792753  0.610758  1
  S  S115  1  0.665761  0.918031  0.611237  1
  S  S116  1  0.250401  0.041535  0.610822  1
  S  S117  1  0.333478  0.166802  0.610764  1
  S  S118  1  0.416751  0.292066  0.610743  1
  S  S119  1  0.500332  0.417195  0.610660  1
  S  S120  1  0.584173  0.542231  0.610502  1
  S  S121  1  0.668372  0.667241  0.610556  1
  S  S122  1  0.749360  0.792985  0.609803  1
  S  S123  1  0.830985  0.919076  0.611491  1
  S  S124  1  0.416804  0.042367  0.610895  1
  S  S125  1  0.499893  0.167414  0.610861  1
  S  S126  1  0.583361  0.292282  0.610713  1
  S  S127  1  0.667167  0.417048  0.610688  1
  S  S128  1  0.751127  0.542146  0.610548  1
  S  S129  1  0.836801  0.667873  0.609111  1
  S  S130  1  0.910804  0.798072  0.614726  1
  S  S131  1  0.000299  0.916040  0.609962  1
  S  S132  1  0.582834  0.042685  0.610914  1
  S  S133  1  0.666258  0.167317  0.610892  1
  S  S134  1  0.750062  0.291446  0.610771  1
  S  S135  1  0.833626  0.415559  0.610631  1
  S  S136  1  0.917368  0.538399  0.612822  1
  S  S137  1  0.002278  0.673639  0.597941  1
  S  S138  1  0.748906  0.042779  0.611066  1
  S  S139  1  0.833298  0.166468  0.610709  1
  S  S140  1  0.916913  0.290686  0.610872  1
  S  S141  1  0.000671  0.415078  0.610778  1
  S  S142  1  0.916615  0.041492  0.610652  1
  S  S143  1  0.000201  0.165868  0.610657  1
  N  N144  1  -0.039178  0.708522  0.499999  1
