# 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  0.085013  0.872433  0.500000  1
  W  W2  1  -0.000343  0.497500  0.500000  1
  W  W3  1  0.080569  0.621932  0.500000  1
  W  W4  1  0.169384  0.752974  0.500000  1
  W  W5  1  0.252136  0.875592  0.500000  1
  W  W6  1  -0.000187  0.249201  0.499999  1
  W  W7  1  0.083235  0.373665  0.499999  1
  W  W8  1  0.166989  0.498386  0.500000  1
  W  W9  1  0.249273  0.625094  0.500000  1
  W  W10  1  0.336206  0.749664  0.500000  1
  W  W11  1  0.417633  0.875263  0.500000  1
  W  W12  1  -0.000849  -0.000108  0.500000  1
  W  W13  1  0.083056  0.124394  0.499999  1
  W  W14  1  0.166590  0.249184  0.499999  1
  W  W15  1  0.249976  0.374181  0.499999  1
  W  W16  1  0.332997  0.499784  0.500000  1
  W  W17  1  0.416586  0.624782  0.500000  1
  W  W18  1  0.501201  0.749865  0.500000  1
  W  W19  1  0.583348  0.875064  0.500000  1
  W  W20  1  0.166957  0.000144  0.500000  1
  W  W21  1  0.250007  0.124668  0.499999  1
  W  W22  1  0.333211  0.249646  0.500000  1
  W  W23  1  0.416352  0.374853  0.500000  1
  W  W24  1  0.499780  0.499833  0.500000  1
  W  W25  1  0.583397  0.624856  0.500000  1
  W  W26  1  0.667292  0.750321  0.500001  1
  W  W27  1  0.749842  0.876211  0.500000  1
  W  W28  1  0.333873  0.000130  0.500000  1
  W  W29  1  0.416629  0.125024  0.500000  1
  W  W30  1  0.499655  0.250039  0.500000  1
  W  W31  1  0.582889  0.374904  0.500000  1
  W  W32  1  0.666412  0.499649  0.500000  1
  W  W33  1  0.750548  0.624334  0.500000  1
  W  W34  1  0.830914  0.749292  0.500000  1
  W  W35  1  0.910430  0.878433  0.500000  1
  W  W36  1  0.500140  0.000214  0.500000  1
  W  W37  1  0.582932  0.125245  0.500000  1
  W  W38  1  0.666116  0.249991  0.500000  1
  W  W39  1  0.749463  0.374231  0.500000  1
  W  W40  1  0.832442  0.498160  0.500000  1
  W  W41  1  0.918013  0.621855  0.500000  1
  W  W42  1  0.666184  0.000584  0.500000  1
  W  W43  1  0.749312  0.125519  0.500000  1
  W  W44  1  0.832924  0.249548  0.500000  1
  W  W45  1  0.916367  0.373652  0.500000  1
  W  W46  1  0.832198  0.001121  0.500000  1
  W  W47  1  0.916282  0.124883  0.500000  1
  S  S48  1  0.094288  0.793296  0.384896  1
  S  S49  1  0.167377  0.916800  0.390182  1
  S  S50  1  0.083319  0.538733  0.389290  1
  S  S51  1  0.164255  0.667041  0.391393  1
  S  S52  1  0.254555  0.792320  0.389556  1
  S  S53  1  0.334547  0.917134  0.388814  1
  S  S54  1  0.083260  0.290582  0.389132  1
  S  S55  1  0.166686  0.415307  0.389106  1
  S  S56  1  0.249576  0.541587  0.389396  1
  S  S57  1  0.333200  0.666302  0.389204  1
  S  S58  1  0.418619  0.791821  0.389069  1
  S  S59  1  0.500415  0.916947  0.389059  1
  S  S60  1  0.082836  0.041006  0.389311  1
  S  S61  1  0.166471  0.165954  0.389202  1
  S  S62  1  0.249882  0.290965  0.389173  1
  S  S63  1  0.333052  0.416437  0.389238  1
  S  S64  1  0.416426  0.541436  0.389311  1
  S  S65  1  0.500173  0.666402  0.389240  1
  S  S66  1  0.584076  0.791637  0.389114  1
  S  S67  1  0.666084  0.917193  0.389268  1
  S  S68  1  0.250258  0.041502  0.389158  1
  S  S69  1  0.333236  0.166424  0.389170  1
  S  S70  1  0.416353  0.291570  0.389192  1
  S  S71  1  0.499630  0.416566  0.389197  1
  S  S72  1  0.583164  0.541507  0.389288  1
  S  S73  1  0.667062  0.666516  0.389596  1
  S  S74  1  0.750057  0.792670  0.388535  1
  S  S75  1  0.830814  0.918850  0.386875  1
  S  S76  1  0.416893  0.041838  0.389118  1
  S  S77  1  0.499696  0.166828  0.389138  1
  S  S78  1  0.582867  0.291707  0.389165  1
  S  S79  1  0.666264  0.416339  0.389235  1
  S  S80  1  0.749760  0.540978  0.389179  1
  S  S81  1  0.834375  0.665853  0.389820  1
  S  S82  1  0.923406  0.788960  0.402433  1
  S  S83  1  -0.000238  0.915920  0.389612  1
  S  S84  1  0.583041  0.042047  0.389068  1
  S  S85  1  0.666021  0.166952  0.389072  1
  S  S86  1  0.749536  0.291179  0.389109  1
  S  S87  1  0.832865  0.415198  0.389089  1
  S  S88  1  0.915990  0.538610  0.389138  1
  S  S89  1  -0.000711  0.661533  0.389805  1
  S  S90  1  0.749030  0.042653  0.389014  1
  S  S91  1  0.832952  0.166541  0.389098  1
  S  S92  1  0.916423  0.290668  0.389086  1
  S  S93  1  -0.000210  0.414782  0.388897  1
  S  S94  1  0.916242  0.041836  0.389109  1
  S  S95  1  -0.000172  0.166106  0.389152  1
  S  S96  1  0.094288  0.793296  0.615104  1
  S  S97  1  0.167377  0.916800  0.609818  1
  S  S98  1  0.083319  0.538733  0.610710  1
  S  S99  1  0.164255  0.667041  0.608607  1
  S  S100  1  0.254555  0.792320  0.610444  1
  S  S101  1  0.334547  0.917134  0.611187  1
  S  S102  1  0.083260  0.290582  0.610867  1
  S  S103  1  0.166685  0.415306  0.610893  1
  S  S104  1  0.249576  0.541587  0.610604  1
  S  S105  1  0.333200  0.666302  0.610797  1
  S  S106  1  0.418619  0.791821  0.610931  1
  S  S107  1  0.500415  0.916947  0.610941  1
  S  S108  1  0.082836  0.041006  0.610689  1
  S  S109  1  0.166471  0.165954  0.610798  1
  S  S110  1  0.249882  0.290965  0.610826  1
  S  S111  1  0.333051  0.416437  0.610762  1
  S  S112  1  0.416426  0.541435  0.610689  1
  S  S113  1  0.500173  0.666402  0.610760  1
  S  S114  1  0.584076  0.791637  0.610887  1
  S  S115  1  0.666084  0.917193  0.610732  1
  S  S116  1  0.250258  0.041502  0.610842  1
  S  S117  1  0.333236  0.166424  0.610830  1
  S  S118  1  0.416353  0.291570  0.610808  1
  S  S119  1  0.499630  0.416566  0.610803  1
  S  S120  1  0.583164  0.541507  0.610713  1
  S  S121  1  0.667062  0.666516  0.610404  1
  S  S122  1  0.750057  0.792670  0.611465  1
  S  S123  1  0.830814  0.918850  0.613126  1
  S  S124  1  0.416892  0.041838  0.610883  1
  S  S125  1  0.499696  0.166828  0.610863  1
  S  S126  1  0.582867  0.291707  0.610837  1
  S  S127  1  0.666264  0.416339  0.610765  1
  S  S128  1  0.749760  0.540978  0.610821  1
  S  S129  1  0.834376  0.665853  0.610181  1
  S  S130  1  0.923406  0.788960  0.597568  1
  S  S131  1  -0.000238  0.915920  0.610388  1
  S  S132  1  0.583041  0.042047  0.610933  1
  S  S133  1  0.666021  0.166952  0.610928  1
  S  S134  1  0.749536  0.291179  0.610891  1
  S  S135  1  0.832865  0.415198  0.610911  1
  S  S136  1  0.915990  0.538610  0.610863  1
  S  S137  1  -0.000711  0.661533  0.610195  1
  S  S138  1  0.749030  0.042653  0.610987  1
  S  S139  1  0.832954  0.166541  0.610901  1
  S  S140  1  0.916423  0.290668  0.610913  1
  S  S141  1  -0.000210  0.414782  0.611101  1
  S  S142  1  0.916242  0.041836  0.610892  1
  S  S143  1  -0.000172  0.166107  0.610847  1
  N  N144  1  -0.020774  0.801782  0.500000  1
