# generated using pymatgen
data_W47S96
_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   W47S96
_chemical_formula_sum   'W47 S96'
_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  0.087216  0.875044  0.500000  1
  W  W2  1  0.000000  0.496949  0.499998  1
  W  W3  1  0.081374  0.621745  0.499999  1
  W  W4  1  0.168571  0.753041  0.500000  1
  W  W5  1  0.252387  0.876471  0.500000  1
  W  W6  1  0.000000  0.248452  0.499998  1
  W  W7  1  0.083361  0.373033  0.499998  1
  W  W8  1  0.166656  0.498008  0.499998  1
  W  W9  1  0.248822  0.625656  0.500000  1
  W  W10  1  0.334769  0.751114  0.500000  1
  W  W11  1  0.417447  0.876222  0.499998  1
  W  W12  1  0.000000  -0.001452  0.500001  1
  W  W13  1  0.083485  0.123918  0.500000  1
  W  W14  1  0.166867  0.248948  0.499999  1
  W  W15  1  0.250013  0.374126  0.499999  1
  W  W16  1  0.332952  0.500292  0.499999  1
  W  W17  1  0.416391  0.625691  0.500000  1
  W  W18  1  0.500000  0.751059  0.500001  1
  W  W19  1  0.582553  0.876222  0.499997  1
  W  W20  1  0.168409  0.000697  0.500000  1
  W  W21  1  0.250781  0.125137  0.499997  1
  W  W22  1  0.333581  0.250088  0.499998  1
  W  W23  1  0.416618  0.375364  0.499998  1
  W  W24  1  0.500000  0.500565  0.499999  1
  W  W25  1  0.583609  0.625691  0.500000  1
  W  W26  1  0.665231  0.751114  0.500001  1
  W  W27  1  0.747613  0.876471  0.500000  1
  W  W28  1  0.334452  0.001015  0.499998  1
  W  W29  1  0.417007  0.125772  0.499998  1
  W  W30  1  0.500000  0.250618  0.499998  1
  W  W31  1  0.583382  0.375364  0.499998  1
  W  W32  1  0.667048  0.500292  0.499999  1
  W  W33  1  0.751178  0.625656  0.499999  1
  W  W34  1  0.831429  0.753041  0.499999  1
  W  W35  1  0.912784  0.875044  0.500000  1
  W  W36  1  0.500000  0.001079  0.499998  1
  W  W37  1  0.582993  0.125772  0.499998  1
  W  W38  1  0.666419  0.250088  0.499998  1
  W  W39  1  0.749987  0.374126  0.499999  1
  W  W40  1  0.833344  0.498008  0.499999  1
  W  W41  1  0.918626  0.621746  0.499999  1
  W  W42  1  0.665548  0.001015  0.499998  1
  W  W43  1  0.749219  0.125137  0.499999  1
  W  W44  1  0.833133  0.248948  0.499999  1
  W  W45  1  0.916639  0.373033  0.499999  1
  W  W46  1  0.831591  0.000697  0.500000  1
  W  W47  1  0.916515  0.123919  0.499999  1
  S  S48  1  0.087983  0.794046  0.391173  1
  S  S49  1  0.169233  0.918013  0.388870  1
  S  S50  1  0.083349  0.538624  0.389034  1
  S  S51  1  0.164136  0.667914  0.391125  1
  S  S52  1  0.252514  0.793164  0.388938  1
  S  S53  1  0.334766  0.917946  0.388749  1
  S  S54  1  0.083360  0.290026  0.389141  1
  S  S55  1  0.166618  0.415109  0.389131  1
  S  S56  1  0.249320  0.541965  0.389620  1
  S  S57  1  0.332671  0.667213  0.389540  1
  S  S58  1  0.417319  0.792759  0.388976  1
  S  S59  1  0.500000  0.917912  0.388868  1
  S  S60  1  0.083375  0.040573  0.389427  1
  S  S61  1  0.166810  0.165768  0.389289  1
  S  S62  1  0.250034  0.291030  0.389198  1
  S  S63  1  0.333055  0.416850  0.389471  1
  S  S64  1  0.416406  0.542229  0.389547  1
  S  S65  1  0.500000  0.667371  0.389537  1
  S  S66  1  0.582681  0.792759  0.388976  1
  S  S67  1  0.665234  0.917946  0.388749  1
  S  S68  1  0.251100  0.042232  0.388925  1
  S  S69  1  0.333720  0.167036  0.389092  1
  S  S70  1  0.416686  0.292165  0.389247  1
  S  S71  1  0.500000  0.417219  0.389407  1
  S  S72  1  0.583594  0.542229  0.389547  1
  S  S73  1  0.667328  0.667214  0.389540  1
  S  S74  1  0.747485  0.793164  0.388937  1
  S  S75  1  0.830767  0.918013  0.388870  1
  S  S76  1  0.417154  0.042706  0.388938  1
  S  S77  1  0.500000  0.167506  0.389131  1
  S  S78  1  0.583314  0.292165  0.389247  1
  S  S79  1  0.666945  0.416850  0.389471  1
  S  S80  1  0.750680  0.541965  0.389620  1
  S  S81  1  0.835864  0.667914  0.391125  1
  S  S82  1  0.912017  0.794046  0.391173  1
  S  S83  1  0.000000  0.914077  0.390976  1
  S  S84  1  0.582846  0.042706  0.388938  1
  S  S85  1  0.666280  0.167036  0.389092  1
  S  S86  1  0.749967  0.291029  0.389199  1
  S  S87  1  0.833382  0.415109  0.389131  1
  S  S88  1  0.916651  0.538624  0.389035  1
  S  S89  1  0.000000  0.661653  0.391303  1
  S  S90  1  0.748900  0.042232  0.388926  1
  S  S91  1  0.833189  0.165768  0.389289  1
  S  S92  1  0.916641  0.290026  0.389141  1
  S  S93  1  -0.000000  0.414258  0.388910  1
  S  S94  1  0.916625  0.040572  0.389427  1
  S  S95  1  0.000000  0.165264  0.389303  1
  S  S96  1  0.087981  0.794045  0.608826  1
  S  S97  1  0.169232  0.918013  0.611132  1
  S  S98  1  0.083349  0.538624  0.610966  1
  S  S99  1  0.164136  0.667914  0.608875  1
  S  S100  1  0.252514  0.793163  0.611065  1
  S  S101  1  0.334766  0.917946  0.611252  1
  S  S102  1  0.083360  0.290026  0.610859  1
  S  S103  1  0.166618  0.415109  0.610870  1
  S  S104  1  0.249320  0.541965  0.610380  1
  S  S105  1  0.332671  0.667214  0.610461  1
  S  S106  1  0.417319  0.792759  0.611024  1
  S  S107  1  0.500000  0.917912  0.611133  1
  S  S108  1  0.083375  0.040573  0.610575  1
  S  S109  1  0.166811  0.165768  0.610713  1
  S  S110  1  0.250033  0.291029  0.610802  1
  S  S111  1  0.333055  0.416850  0.610530  1
  S  S112  1  0.416406  0.542229  0.610455  1
  S  S113  1  0.500000  0.667371  0.610465  1
  S  S114  1  0.582681  0.792759  0.611024  1
  S  S115  1  0.665234  0.917946  0.611252  1
  S  S116  1  0.251100  0.042232  0.611077  1
  S  S117  1  0.333720  0.167037  0.610908  1
  S  S118  1  0.416685  0.292165  0.610754  1
  S  S119  1  0.500000  0.417219  0.610594  1
  S  S120  1  0.583594  0.542229  0.610455  1
  S  S121  1  0.667329  0.667214  0.610461  1
  S  S122  1  0.747486  0.793163  0.611065  1
  S  S123  1  0.830768  0.918013  0.611132  1
  S  S124  1  0.417155  0.042706  0.611063  1
  S  S125  1  0.500000  0.167506  0.610870  1
  S  S126  1  0.583314  0.292165  0.610754  1
  S  S127  1  0.666945  0.416850  0.610530  1
  S  S128  1  0.750680  0.541965  0.610380  1
  S  S129  1  0.835864  0.667914  0.608875  1
  S  S130  1  0.912019  0.794045  0.608826  1
  S  S131  1  0.000000  0.914078  0.609024  1
  S  S132  1  0.582846  0.042706  0.611063  1
  S  S133  1  0.666279  0.167037  0.610909  1
  S  S134  1  0.749967  0.291029  0.610802  1
  S  S135  1  0.833382  0.415109  0.610870  1
  S  S136  1  0.916651  0.538624  0.610966  1
  S  S137  1  0.000000  0.661652  0.608697  1
  S  S138  1  0.748900  0.042232  0.611077  1
  S  S139  1  0.833189  0.165768  0.610713  1
  S  S140  1  0.916640  0.290026  0.610860  1
  S  S141  1  0.000000  0.414258  0.611090  1
  S  S142  1  0.916626  0.040573  0.610575  1
  S  S143  1  0.000000  0.165265  0.610697  1
