# 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  0.086378  0.871059  0.500035  1
  W  W2  1  0.999911  0.498110  0.500000  1
  W  W3  1  0.081102  0.623695  0.500003  1
  W  W4  1  0.169919  0.751276  0.500021  1
  W  W5  1  0.252160  0.875625  0.500010  1
  W  W6  1  0.999908  0.248861  0.500006  1
  W  W7  1  0.083183  0.373613  0.500004  1
  W  W8  1  0.166523  0.498648  0.500001  1
  W  W9  1  0.249438  0.624874  0.499999  1
  W  W10  1  0.335689  0.750181  0.499994  1
  W  W11  1  0.417495  0.875484  0.499985  1
  W  W12  1  0.999500  0.999014  0.500027  1
  W  W13  1  0.083097  0.123872  0.500012  1
  W  W14  1  0.166538  0.248978  0.500003  1
  W  W15  1  0.249805  0.374162  0.500001  1
  W  W16  1  0.332959  0.499717  0.499997  1
  W  W17  1  0.416587  0.624937  0.499989  1
  W  W18  1  0.500784  0.750246  0.499981  1
  W  W19  1  0.582991  0.875315  0.499981  1
  W  W20  1  0.167290  0.000155  0.500019  1
  W  W21  1  0.250173  0.124639  0.500002  1
  W  W22  1  0.333252  0.249636  0.499996  1
  W  W23  1  0.416407  0.374823  0.499997  1
  W  W24  1  0.499842  0.499925  0.499992  1
  W  W25  1  0.583406  0.625012  0.499982  1
  W  W26  1  0.666689  0.750774  0.499984  1
  W  W27  1  0.749054  0.876053  0.500004  1
  W  W28  1  0.334046  0.000215  0.499995  1
  W  W29  1  0.416688  0.125146  0.499986  1
  W  W30  1  0.499836  0.250047  0.499993  1
  W  W31  1  0.583158  0.374860  0.499996  1
  W  W32  1  0.666491  0.499677  0.499990  1
  W  W33  1  0.750281  0.624743  0.499990  1
  W  W34  1  0.830681  0.748638  0.500013  1
  W  W35  1  0.909340  0.876868  0.500030  1
  W  W36  1  0.500075  0.000465  0.499978  1
  W  W37  1  0.583064  0.125276  0.499987  1
  W  W38  1  0.666391  0.249926  0.499998  1
  W  W39  1  0.749886  0.374305  0.499999  1
  W  W40  1  0.833198  0.498441  0.499995  1
  W  W41  1  0.916861  0.623607  0.500003  1
  W  W42  1  0.665894  0.000518  0.499990  1
  W  W43  1  0.749462  0.125251  0.500000  1
  W  W44  1  0.833195  0.249274  0.500004  1
  W  W45  1  0.916586  0.373700  0.500002  1
  W  W46  1  0.832125  0.000525  0.500014  1
  W  W47  1  0.916351  0.124258  0.500011  1
  S  S48  1  0.093423  0.793471  0.384594  1
  S  S49  1  0.167771  0.916751  0.390228  1
  S  S50  1  0.083083  0.540065  0.389438  1
  S  S51  1  0.165166  0.666828  0.390729  1
  S  S52  1  0.253686  0.792297  0.389214  1
  S  S53  1  0.334526  0.917195  0.388754  1
  S  S54  1  0.083233  0.290446  0.389205  1
  S  S55  1  0.166442  0.415529  0.389222  1
  S  S56  1  0.249473  0.541422  0.389446  1
  S  S57  1  0.333204  0.666499  0.389374  1
  S  S58  1  0.418126  0.792058  0.389018  1
  S  S59  1  0.500198  0.917200  0.389039  1
  S  S60  1  0.082886  0.040430  0.389335  1
  S  S61  1  0.166450  0.165696  0.389301  1
  S  S62  1  0.249788  0.290915  0.389264  1
  S  S63  1  0.332974  0.416357  0.389339  1
  S  S64  1  0.416385  0.541526  0.389411  1
  S  S65  1  0.500103  0.666643  0.389378  1
  S  S66  1  0.583597  0.791956  0.389059  1
  S  S67  1  0.665732  0.917207  0.389168  1
  S  S68  1  0.250458  0.041505  0.389165  1
  S  S69  1  0.333281  0.166482  0.389159  1
  S  S70  1  0.416456  0.291568  0.389261  1
  S  S71  1  0.499781  0.416584  0.389337  1
  S  S72  1  0.583269  0.541608  0.389345  1
  S  S73  1  0.666815  0.666910  0.389617  1
  S  S74  1  0.749716  0.792445  0.388442  1
  S  S75  1  0.830297  0.918216  0.386880  1
  S  S76  1  0.416907  0.042010  0.389084  1
  S  S77  1  0.499836  0.166872  0.389168  1
  S  S78  1  0.583140  0.291673  0.389219  1
  S  S79  1  0.666597  0.416363  0.389330  1
  S  S80  1  0.749978  0.541176  0.389524  1
  S  S81  1  0.834002  0.665427  0.389204  1
  S  S82  1  0.923379  0.787689  0.402369  1
  S  S83  1  0.999539  0.914547  0.390431  1
  S  S84  1  0.582998  0.042156  0.389004  1
  S  S85  1  0.666286  0.166863  0.389130  1
  S  S86  1  0.749912  0.291157  0.389236  1
  S  S87  1  0.833299  0.415497  0.389103  1
  S  S88  1  0.916536  0.539957  0.389534  1
  S  S89  1  0.999541  0.664110  0.390062  1
  S  S90  1  0.749070  0.042285  0.389153  1
  S  S91  1  0.833179  0.166159  0.389176  1
  S  S92  1  0.916646  0.290570  0.389215  1
  S  S93  1  0.999919  0.415129  0.389050  1
  S  S94  1  0.916440  0.040960  0.389329  1
  S  S95  1  0.999861  0.165606  0.389290  1
  S  S96  1  0.093441  0.793471  0.615475  1
  S  S97  1  0.167787  0.916754  0.609817  1
  S  S98  1  0.083081  0.540063  0.610562  1
  S  S99  1  0.165170  0.666818  0.609285  1
  S  S100  1  0.253705  0.792293  0.610803  1
  S  S101  1  0.334543  0.917196  0.611238  1
  S  S102  1  0.083235  0.290447  0.610801  1
  S  S103  1  0.166444  0.415530  0.610780  1
  S  S104  1  0.249477  0.541422  0.610550  1
  S  S105  1  0.333212  0.666498  0.610612  1
  S  S106  1  0.418135  0.792060  0.610953  1
  S  S107  1  0.500201  0.917203  0.610918  1
  S  S108  1  0.082892  0.040437  0.610704  1
  S  S109  1  0.166457  0.165700  0.610706  1
  S  S110  1  0.249792  0.290914  0.610733  1
  S  S111  1  0.332977  0.416357  0.610655  1
  S  S112  1  0.416388  0.541529  0.610572  1
  S  S113  1  0.500109  0.666645  0.610587  1
  S  S114  1  0.583594  0.791957  0.610902  1
  S  S115  1  0.665718  0.917208  0.610812  1
  S  S116  1  0.250472  0.041509  0.610844  1
  S  S117  1  0.333290  0.166481  0.610828  1
  S  S118  1  0.416459  0.291567  0.610727  1
  S  S119  1  0.499781  0.416587  0.610649  1
  S  S120  1  0.583269  0.541613  0.610629  1
  S  S121  1  0.666809  0.666911  0.610349  1
  S  S122  1  0.749697  0.792442  0.611557  1
  S  S123  1  0.830276  0.918221  0.613152  1
  S  S124  1  0.416920  0.042010  0.610885  1
  S  S125  1  0.499836  0.166868  0.610805  1
  S  S126  1  0.583137  0.291672  0.610771  1
  S  S127  1  0.666594  0.416368  0.610657  1
  S  S128  1  0.749975  0.541176  0.610454  1
  S  S129  1  0.833993  0.665418  0.610799  1
  S  S130  1  0.923362  0.787690  0.597695  1
  S  S131  1  0.999538  0.914553  0.609638  1
  S  S132  1  0.582990  0.042155  0.610960  1
  S  S133  1  0.666278  0.166861  0.610856  1
  S  S134  1  0.749907  0.291157  0.610763  1
  S  S135  1  0.833296  0.415500  0.610891  1
  S  S136  1  0.916533  0.539954  0.610462  1
  S  S137  1  0.999540  0.664106  0.609942  1
  S  S138  1  0.749055  0.042286  0.610847  1
  S  S139  1  0.833172  0.166160  0.610830  1
  S  S140  1  0.916644  0.290573  0.610792  1
  S  S141  1  0.999918  0.415131  0.610951  1
  S  S142  1  0.916431  0.040967  0.610704  1
  S  S143  1  0.999860  0.165610  0.610726  1
  N  N144  1  0.979539  0.801546  0.500043  1
