# 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  0.083300  0.873849  0.500005  1
  W  W2  1  0.000685  0.497993  0.500001  1
  W  W3  1  0.087226  0.622092  0.500002  1
  W  W4  1  0.167245  0.750003  0.500001  1
  W  W5  1  0.251418  0.875599  0.500000  1
  W  W6  1  0.000509  0.248991  0.500000  1
  W  W7  1  0.083327  0.374802  0.500000  1
  W  W8  1  0.166234  0.499086  0.500000  1
  W  W9  1  0.250334  0.625498  0.499997  1
  W  W10  1  0.334592  0.750437  0.499996  1
  W  W11  1  0.416446  0.876435  0.499994  1
  W  W12  1  0.000168  0.999083  0.500003  1
  W  W13  1  0.084448  0.124576  0.500002  1
  W  W14  1  0.166984  0.248646  0.499999  1
  W  W15  1  0.251031  0.375692  0.499999  1
  W  W16  1  0.333256  0.498993  0.499998  1
  W  W17  1  0.417959  0.625908  0.499993  1
  W  W18  1  0.500692  0.749598  0.499993  1
  W  W19  1  0.583564  0.876340  0.499992  1
  W  W20  1  0.167479  0.999457  0.500002  1
  W  W21  1  0.249804  0.125297  0.499998  1
  W  W22  1  0.333849  0.249619  0.499996  1
  W  W23  1  0.414301  0.377184  0.499998  1
  W  W24  1  0.500914  0.500346  0.499995  1
  W  W25  1  0.584195  0.626272  0.499995  1
  W  W26  1  0.666611  0.750738  0.499997  1
  W  W27  1  0.748334  0.876990  0.499996  1
  W  W28  1  0.333600  0.999202  0.499997  1
  W  W29  1  0.417802  0.126720  0.499995  1
  W  W30  1  0.500603  0.247244  0.499995  1
  W  W31  1  0.586382  0.376753  0.499997  1
  W  W32  1  0.667450  0.499292  0.499999  1
  W  W33  1  0.752159  0.626366  0.500001  1
  W  W34  1  0.835474  0.754689  0.500002  1
  W  W35  1  0.913952  0.877897  0.500002  1
  W  W36  1  0.500030  0.000666  0.499992  1
  W  W37  1  0.581958  0.126858  0.499993  1
  W  W38  1  0.666806  0.250101  0.499996  1
  W  W39  1  0.748371  0.375088  0.500000  1
  W  W40  1  0.834218  0.498522  0.500001  1
  W  W41  1  0.919477  0.618808  0.500003  1
  W  W42  1  0.665432  0.999813  0.499993  1
  W  W43  1  0.749704  0.126433  0.499995  1
  W  W44  1  0.832802  0.248764  0.499999  1
  W  W45  1  0.918009  0.375079  0.500000  1
  W  W46  1  0.831802  0.001167  0.499998  1
  W  W47  1  0.915807  0.125172  0.500001  1
  S  S48  1  0.084664  0.791145  0.389298  1
  S  S49  1  0.166925  0.915996  0.389770  1
  S  S50  1  0.083523  0.540239  0.387339  1
  S  S51  1  0.167966  0.667482  0.389281  1
  S  S52  1  0.250859  0.792011  0.389915  1
  S  S53  1  0.333650  0.916978  0.388168  1
  S  S54  1  0.083786  0.291011  0.389566  1
  S  S55  1  0.166983  0.416029  0.389234  1
  S  S56  1  0.250190  0.541618  0.389774  1
  S  S57  1  0.334078  0.666852  0.389508  1
  S  S58  1  0.417618  0.792459  0.389782  1
  S  S59  1  0.500029  0.917538  0.389333  1
  S  S60  1  0.083621  0.040907  0.389605  1
  S  S61  1  0.166939  0.166171  0.388639  1
  S  S62  1  0.250255  0.291500  0.389740  1
  S  S63  1  0.332574  0.417295  0.387467  1
  S  S64  1  0.417136  0.542117  0.389834  1
  S  S65  1  0.500996  0.666863  0.388705  1
  S  S66  1  0.583433  0.792535  0.389546  1
  S  S67  1  0.665801  0.917473  0.388073  1
  S  S68  1  0.250600  0.041551  0.389569  1
  S  S69  1  0.333267  0.166846  0.389094  1
  S  S70  1  0.417715  0.292407  0.390802  1
  S  S71  1  0.500590  0.416605  0.390482  1
  S  S72  1  0.584245  0.542415  0.389754  1
  S  S73  1  0.668460  0.667197  0.389426  1
  S  S74  1  0.749390  0.793029  0.390193  1
  S  S75  1  0.831024  0.919106  0.388516  1
  S  S76  1  0.416564  0.042704  0.389837  1
  S  S77  1  0.499933  0.166469  0.386500  1
  S  S78  1  0.583076  0.292395  0.390138  1
  S  S79  1  0.667643  0.417532  0.387120  1
  S  S80  1  0.751095  0.542225  0.390199  1
  S  S81  1  0.836938  0.668124  0.390648  1
  S  S82  1  0.911010  0.797968  0.385501  1
  S  S83  1  0.000206  0.915738  0.390130  1
  S  S84  1  0.582909  0.042937  0.389542  1
  S  S85  1  0.666352  0.167374  0.388772  1
  S  S86  1  0.750045  0.291454  0.389111  1
  S  S87  1  0.833218  0.415269  0.389684  1
  S  S88  1  0.917397  0.538388  0.387285  1
  S  S89  1  0.002410  0.673109  0.401944  1
  S  S90  1  0.748392  0.042835  0.389671  1
  S  S91  1  0.833074  0.166528  0.388554  1
  S  S92  1  0.916693  0.291235  0.390007  1
  S  S93  1  0.000842  0.415636  0.388445  1
  S  S94  1  0.916698  0.041588  0.389687  1
  S  S95  1  0.000307  0.165806  0.389702  1
  S  S96  1  0.084664  0.791143  0.610709  1
  S  S97  1  0.166928  0.915996  0.610239  1
  S  S98  1  0.083522  0.540239  0.612663  1
  S  S99  1  0.167967  0.667481  0.610721  1
  S  S100  1  0.250861  0.792010  0.610086  1
  S  S101  1  0.333653  0.916977  0.611830  1
  S  S102  1  0.083786  0.291012  0.610438  1
  S  S103  1  0.166982  0.416029  0.610770  1
  S  S104  1  0.250190  0.541619  0.610227  1
  S  S105  1  0.334079  0.666852  0.610490  1
  S  S106  1  0.417620  0.792460  0.610210  1
  S  S107  1  0.500030  0.917538  0.610658  1
  S  S108  1  0.083622  0.040907  0.610404  1
  S  S109  1  0.166941  0.166172  0.611367  1
  S  S110  1  0.250256  0.291499  0.610264  1
  S  S111  1  0.332574  0.417295  0.612537  1
  S  S112  1  0.417136  0.542119  0.610168  1
  S  S113  1  0.500995  0.666864  0.611290  1
  S  S114  1  0.583430  0.792537  0.610448  1
  S  S115  1  0.665799  0.917474  0.611920  1
  S  S116  1  0.250603  0.041552  0.610436  1
  S  S117  1  0.333270  0.166846  0.610908  1
  S  S118  1  0.417717  0.292406  0.609200  1
  S  S119  1  0.500589  0.416605  0.609523  1
  S  S120  1  0.584244  0.542416  0.610250  1
  S  S121  1  0.668457  0.667199  0.610577  1
  S  S122  1  0.749387  0.793031  0.609807  1
  S  S123  1  0.831020  0.919107  0.611485  1
  S  S124  1  0.416567  0.042703  0.610159  1
  S  S125  1  0.499934  0.166468  0.613497  1
  S  S126  1  0.583076  0.292393  0.609862  1
  S  S127  1  0.667643  0.417532  0.612886  1
  S  S128  1  0.751094  0.542225  0.609807  1
  S  S129  1  0.836937  0.668124  0.609358  1
  S  S130  1  0.911008  0.797969  0.614505  1
  S  S131  1  0.000204  0.915738  0.609880  1
  S  S132  1  0.582908  0.042936  0.610450  1
  S  S133  1  0.666351  0.167372  0.611226  1
  S  S134  1  0.750043  0.291453  0.610892  1
  S  S135  1  0.833218  0.415268  0.610319  1
  S  S136  1  0.917397  0.538387  0.612718  1
  S  S137  1  0.002410  0.673108  0.598062  1
  S  S138  1  0.748389  0.042835  0.610325  1
  S  S139  1  0.833072  0.166526  0.611449  1
  S  S140  1  0.916693  0.291235  0.609997  1
  S  S141  1  0.000842  0.415635  0.611557  1
  S  S142  1  0.916695  0.041588  0.610319  1
  S  S143  1  0.000306  0.165807  0.610305  1
  N  N144  1  0.961032  0.708499  0.500004  1
