# 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  0.083619  0.873740  0.500001  1
  W  W2  1  0.000636  0.498665  0.500001  1
  W  W3  1  0.086308  0.622325  0.499999  1
  W  W4  1  0.167187  0.750330  0.499999  1
  W  W5  1  0.250945  0.875472  0.499997  1
  W  W6  1  0.000113  0.248653  0.500000  1
  W  W7  1  0.084418  0.374185  0.499999  1
  W  W8  1  0.166163  0.498940  0.499999  1
  W  W9  1  0.250698  0.625384  0.499998  1
  W  W10  1  0.334453  0.750481  0.499999  1
  W  W11  1  0.417287  0.875790  0.499998  1
  W  W12  1  0.000116  -0.000685  0.500005  1
  W  W13  1  0.083249  0.124406  0.500000  1
  W  W14  1  0.167004  0.249334  0.499997  1
  W  W15  1  0.249603  0.375376  0.499997  1
  W  W16  1  0.333645  0.500363  0.499997  1
  W  W17  1  0.417258  0.625712  0.499997  1
  W  W18  1  0.500537  0.750851  0.499998  1
  W  W19  1  0.582919  0.876128  0.499998  1
  W  W20  1  0.167541  -0.000892  0.499998  1
  W  W21  1  0.250653  0.124753  0.499996  1
  W  W22  1  0.333497  0.249296  0.499996  1
  W  W23  1  0.417472  0.375960  0.499997  1
  W  W24  1  0.500521  0.500147  0.499999  1
  W  W25  1  0.585014  0.626016  0.500000  1
  W  W26  1  0.666626  0.750650  0.499999  1
  W  W27  1  0.748852  0.876835  0.500001  1
  W  W28  1  0.333722  0.000150  0.499996  1
  W  W29  1  0.416200  0.125650  0.499994  1
  W  W30  1  0.499947  0.250562  0.499994  1
  W  W31  1  0.582992  0.376039  0.499997  1
  W  W32  1  0.667714  0.500695  0.500000  1
  W  W33  1  0.751724  0.626063  0.500001  1
  W  W34  1  0.836191  0.754842  0.500001  1
  W  W35  1  0.913949  0.877725  0.500003  1
  W  W36  1  0.499730  0.000069  0.499997  1
  W  W37  1  0.583421  0.126042  0.499994  1
  W  W38  1  0.666809  0.249622  0.499993  1
  W  W39  1  0.750723  0.375036  0.499996  1
  W  W40  1  0.834246  0.498677  0.500001  1
  W  W41  1  0.919998  0.618792  0.500001  1
  W  W42  1  0.665902  0.000931  0.500002  1
  W  W43  1  0.748971  0.125688  0.499999  1
  W  W44  1  0.833457  0.249661  0.499998  1
  W  W45  1  0.916573  0.374119  0.499999  1
  W  W46  1  0.831770  0.000917  0.500003  1
  W  W47  1  0.916937  0.124661  0.500002  1
  S  S48  1  0.084720  0.791193  0.389221  1
  S  S49  1  0.166922  0.915855  0.389501  1
  S  S50  1  0.083475  0.540369  0.387461  1
  S  S51  1  0.167818  0.667415  0.389668  1
  S  S52  1  0.250823  0.792078  0.389783  1
  S  S53  1  0.333907  0.917054  0.389070  1
  S  S54  1  0.083548  0.290684  0.389590  1
  S  S55  1  0.166794  0.416277  0.388865  1
  S  S56  1  0.250019  0.541733  0.389726  1
  S  S57  1  0.334004  0.667018  0.389343  1
  S  S58  1  0.417257  0.792349  0.389302  1
  S  S59  1  0.499987  0.917247  0.388926  1
  S  S60  1  0.083691  0.040819  0.389669  1
  S  S61  1  0.166850  0.165947  0.389598  1
  S  S62  1  0.250267  0.291599  0.389814  1
  S  S63  1  0.333478  0.416935  0.389744  1
  S  S64  1  0.417166  0.542279  0.389663  1
  S  S65  1  0.501044  0.667304  0.389725  1
  S  S66  1  0.583641  0.792602  0.389409  1
  S  S67  1  0.665848  0.917829  0.388944  1
  S  S68  1  0.250262  0.041320  0.389349  1
  S  S69  1  0.333236  0.166562  0.388938  1
  S  S70  1  0.416570  0.292229  0.389805  1
  S  S71  1  0.500314  0.417414  0.389002  1
  S  S72  1  0.584154  0.542407  0.389827  1
  S  S73  1  0.668508  0.667365  0.389308  1
  S  S74  1  0.749689  0.792928  0.390415  1
  S  S75  1  0.831122  0.918885  0.388367  1
  S  S76  1  0.416760  0.042221  0.389486  1
  S  S77  1  0.499767  0.167298  0.389522  1
  S  S78  1  0.583561  0.292320  0.389829  1
  S  S79  1  0.667220  0.417129  0.389834  1
  S  S80  1  0.751378  0.542413  0.389871  1
  S  S81  1  0.836949  0.667888  0.390815  1
  S  S82  1  0.911055  0.798129  0.384996  1
  S  S83  1  0.000290  0.915764  0.390346  1
  S  S84  1  0.582657  0.042540  0.389559  1
  S  S85  1  0.666336  0.167110  0.388862  1
  S  S86  1  0.750113  0.291617  0.389626  1
  S  S87  1  0.833712  0.415846  0.389080  1
  S  S88  1  0.917587  0.538573  0.387131  1
  S  S89  1  0.002027  0.673873  0.401810  1
  S  S90  1  0.749000  0.042635  0.389168  1
  S  S91  1  0.833319  0.166338  0.389610  1
  S  S92  1  0.916989  0.290841  0.389379  1
  S  S93  1  0.000656  0.415224  0.389707  1
  S  S94  1  0.916601  0.041351  0.389501  1
  S  S95  1  0.000155  0.165744  0.389204  1
  S  S96  1  0.084721  0.791192  0.610780  1
  S  S97  1  0.166923  0.915856  0.610501  1
  S  S98  1  0.083476  0.540368  0.612533  1
  S  S99  1  0.167818  0.667414  0.610330  1
  S  S100  1  0.250823  0.792078  0.610218  1
  S  S101  1  0.333907  0.917054  0.610933  1
  S  S102  1  0.083548  0.290685  0.610407  1
  S  S103  1  0.166794  0.416277  0.611129  1
  S  S104  1  0.250019  0.541732  0.610270  1
  S  S105  1  0.334004  0.667015  0.610657  1
  S  S106  1  0.417257  0.792349  0.610699  1
  S  S107  1  0.499987  0.917247  0.611078  1
  S  S108  1  0.083692  0.040820  0.610333  1
  S  S109  1  0.166849  0.165947  0.610402  1
  S  S110  1  0.250266  0.291600  0.610187  1
  S  S111  1  0.333476  0.416935  0.610253  1
  S  S112  1  0.417165  0.542279  0.610335  1
  S  S113  1  0.501043  0.667304  0.610276  1
  S  S114  1  0.583640  0.792601  0.610595  1
  S  S115  1  0.665848  0.917830  0.611059  1
  S  S116  1  0.250262  0.041320  0.610655  1
  S  S117  1  0.333235  0.166562  0.611065  1
  S  S118  1  0.416568  0.292230  0.610202  1
  S  S119  1  0.500313  0.417416  0.611001  1
  S  S120  1  0.584154  0.542407  0.610175  1
  S  S121  1  0.668507  0.667365  0.610695  1
  S  S122  1  0.749689  0.792928  0.609588  1
  S  S123  1  0.831122  0.918885  0.611635  1
  S  S124  1  0.416760  0.042221  0.610517  1
  S  S125  1  0.499767  0.167297  0.610485  1
  S  S126  1  0.583561  0.292321  0.610179  1
  S  S127  1  0.667220  0.417130  0.610171  1
  S  S128  1  0.751378  0.542413  0.610130  1
  S  S129  1  0.836950  0.667888  0.609187  1
  S  S130  1  0.911055  0.798129  0.615004  1
  S  S131  1  0.000290  0.915764  0.609656  1
  S  S132  1  0.582658  0.042540  0.610444  1
  S  S133  1  0.666335  0.167109  0.611146  1
  S  S134  1  0.750115  0.291617  0.610380  1
  S  S135  1  0.833713  0.415846  0.610921  1
  S  S136  1  0.917588  0.538572  0.612864  1
  S  S137  1  0.002028  0.673873  0.598188  1
  S  S138  1  0.749000  0.042634  0.610835  1
  S  S139  1  0.833320  0.166338  0.610393  1
  S  S140  1  0.916989  0.290841  0.610621  1
  S  S141  1  0.000657  0.415224  0.610290  1
  S  S142  1  0.916601  0.041351  0.610500  1
  S  S143  1  0.000156  0.165744  0.610795  1
  N  N144  1  -0.039803  0.708780  0.500000  1
