# generated using pymatgen
data_FeW47S96
_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   FeW47S96
_chemical_formula_sum   'Fe1 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
  Fe  Fe1  1  0.000000  0.750003  0.500000  1
  W  W2  1  0.084582  0.876150  0.500000  1
  W  W3  1  0.000000  0.498737  0.500000  1
  W  W4  1  0.083965  0.623441  0.500000  1
  W  W5  1  0.168482  0.750307  0.500000  1
  W  W6  1  0.251123  0.875495  0.500000  1
  W  W7  1  -0.000000  0.249222  0.500000  1
  W  W8  1  0.082401  0.374833  0.500000  1
  W  W9  1  0.166037  0.499501  0.500000  1
  W  W10  1  0.248999  0.625566  0.500000  1
  W  W11  1  0.333532  0.750814  0.500000  1
  W  W12  1  0.416359  0.875530  0.500000  1
  W  W13  1  -0.000000  -0.001217  0.500000  1
  W  W14  1  0.084515  0.124567  0.500000  1
  W  W15  1  0.166951  0.248649  0.500000  1
  W  W16  1  0.250976  0.375251  0.500000  1
  W  W17  1  0.332760  0.499615  0.500000  1
  W  W18  1  0.417050  0.625816  0.500000  1
  W  W19  1  0.500000  0.749837  0.500000  1
  W  W20  1  0.583641  0.875530  0.500000  1
  W  W21  1  0.167501  -0.000326  0.500000  1
  W  W22  1  0.249277  0.125403  0.500000  1
  W  W23  1  0.333370  0.250066  0.500000  1
  W  W24  1  0.414761  0.375782  0.500000  1
  W  W25  1  0.500000  0.500527  0.500000  1
  W  W26  1  0.582950  0.625816  0.500000  1
  W  W27  1  0.666468  0.750814  0.500000  1
  W  W28  1  0.748877  0.875495  0.500000  1
  W  W29  1  0.333580  -0.000647  0.500000  1
  W  W30  1  0.417880  0.126151  0.500000  1
  W  W31  1  0.500000  0.248901  0.500000  1
  W  W32  1  0.585239  0.375782  0.500000  1
  W  W33  1  0.667240  0.499615  0.500000  1
  W  W34  1  0.751001  0.625566  0.500000  1
  W  W35  1  0.831518  0.750307  0.500000  1
  W  W36  1  0.915418  0.876150  0.500000  1
  W  W37  1  0.500000  0.000351  0.500000  1
  W  W38  1  0.582120  0.126151  0.500000  1
  W  W39  1  0.666629  0.250066  0.500000  1
  W  W40  1  0.749024  0.375251  0.500000  1
  W  W41  1  0.833963  0.499501  0.500000  1
  W  W42  1  0.916035  0.623441  0.500000  1
  W  W43  1  0.666420  -0.000647  0.500000  1
  W  W44  1  0.750723  0.125403  0.500000  1
  W  W45  1  0.833049  0.248649  0.500000  1
  W  W46  1  0.917599  0.374833  0.500000  1
  W  W47  1  0.832499  -0.000325  0.500000  1
  W  W48  1  0.915485  0.124567  0.500000  1
  S  S49  1  0.084716  0.792330  0.390263  1
  S  S50  1  0.167678  0.916850  0.388878  1
  S  S51  1  0.083066  0.540748  0.388917  1
  S  S52  1  0.165870  0.667076  0.389679  1
  S  S53  1  0.250675  0.792266  0.388855  1
  S  S54  1  0.333769  0.916785  0.388757  1
  S  S55  1  0.083504  0.291034  0.389889  1
  S  S56  1  0.166543  0.416009  0.389837  1
  S  S57  1  0.249496  0.541940  0.389729  1
  S  S58  1  0.332986  0.666998  0.389724  1
  S  S59  1  0.416939  0.792052  0.389507  1
  S  S60  1  0.500000  0.917028  0.389534  1
  S  S61  1  0.083382  0.040957  0.389698  1
  S  S62  1  0.166684  0.166233  0.388589  1
  S  S63  1  0.249909  0.291518  0.389628  1
  S  S64  1  0.332842  0.417207  0.388437  1
  S  S65  1  0.416319  0.542100  0.389910  1
  S  S66  1  0.500000  0.666976  0.389011  1
  S  S67  1  0.583061  0.792052  0.389507  1
  S  S68  1  0.666231  0.916785  0.388757  1
  S  S69  1  0.250589  0.041763  0.389688  1
  S  S70  1  0.333353  0.166710  0.389619  1
  S  S71  1  0.416880  0.292006  0.389906  1
  S  S72  1  0.500000  0.416621  0.390464  1
  S  S73  1  0.583681  0.542100  0.389910  1
  S  S74  1  0.667015  0.666997  0.389724  1
  S  S75  1  0.749325  0.792266  0.388855  1
  S  S76  1  0.832322  0.916850  0.388878  1
  S  S77  1  0.416595  0.042222  0.389914  1
  S  S78  1  0.500000  0.166947  0.388043  1
  S  S79  1  0.583119  0.292006  0.389906  1
  S  S80  1  0.667158  0.417207  0.388437  1
  S  S81  1  0.750504  0.541940  0.389729  1
  S  S82  1  0.834130  0.667076  0.389679  1
  S  S83  1  0.915284  0.792330  0.390263  1
  S  S84  1  0.000000  0.915728  0.389677  1
  S  S85  1  0.583405  0.042222  0.389914  1
  S  S86  1  0.666647  0.166710  0.389620  1
  S  S87  1  0.750091  0.291518  0.389628  1
  S  S88  1  0.833457  0.416009  0.389837  1
  S  S89  1  0.916934  0.540748  0.388918  1
  S  S90  1  0.000000  0.665243  0.390321  1
  S  S91  1  0.749411  0.041763  0.389688  1
  S  S92  1  0.833316  0.166233  0.388589  1
  S  S93  1  0.916496  0.291034  0.389889  1
  S  S94  1  0.000000  0.416101  0.388658  1
  S  S95  1  0.916618  0.040957  0.389698  1
  S  S96  1  -0.000000  0.165621  0.390025  1
  S  S97  1  0.084716  0.792330  0.609737  1
  S  S98  1  0.167678  0.916850  0.611122  1
  S  S99  1  0.083066  0.540748  0.611083  1
  S  S100  1  0.165870  0.667076  0.610321  1
  S  S101  1  0.250675  0.792266  0.611146  1
  S  S102  1  0.333769  0.916785  0.611243  1
  S  S103  1  0.083504  0.291034  0.610111  1
  S  S104  1  0.166543  0.416009  0.610163  1
  S  S105  1  0.249496  0.541940  0.610271  1
  S  S106  1  0.332986  0.666998  0.610276  1
  S  S107  1  0.416939  0.792052  0.610493  1
  S  S108  1  0.500000  0.917028  0.610466  1
  S  S109  1  0.083382  0.040957  0.610302  1
  S  S110  1  0.166684  0.166233  0.611411  1
  S  S111  1  0.249909  0.291518  0.610372  1
  S  S112  1  0.332842  0.417207  0.611563  1
  S  S113  1  0.416319  0.542100  0.610090  1
  S  S114  1  0.500000  0.666976  0.610989  1
  S  S115  1  0.583061  0.792052  0.610493  1
  S  S116  1  0.666231  0.916785  0.611243  1
  S  S117  1  0.250589  0.041763  0.610312  1
  S  S118  1  0.333353  0.166710  0.610381  1
  S  S119  1  0.416880  0.292006  0.610094  1
  S  S120  1  0.500000  0.416621  0.609536  1
  S  S121  1  0.583681  0.542100  0.610090  1
  S  S122  1  0.667015  0.666997  0.610276  1
  S  S123  1  0.749325  0.792266  0.611145  1
  S  S124  1  0.832322  0.916850  0.611122  1
  S  S125  1  0.416595  0.042222  0.610086  1
  S  S126  1  0.500000  0.166947  0.611957  1
  S  S127  1  0.583119  0.292006  0.610094  1
  S  S128  1  0.667158  0.417207  0.611563  1
  S  S129  1  0.750504  0.541940  0.610271  1
  S  S130  1  0.834130  0.667076  0.610321  1
  S  S131  1  0.915284  0.792330  0.609737  1
  S  S132  1  0.000000  0.915728  0.610323  1
  S  S133  1  0.583405  0.042222  0.610086  1
  S  S134  1  0.666647  0.166710  0.610381  1
  S  S135  1  0.750091  0.291518  0.610372  1
  S  S136  1  0.833457  0.416009  0.610163  1
  S  S137  1  0.916934  0.540748  0.611082  1
  S  S138  1  0.000000  0.665243  0.609679  1
  S  S139  1  0.749411  0.041763  0.610312  1
  S  S140  1  0.833316  0.166233  0.611411  1
  S  S141  1  0.916496  0.291034  0.610111  1
  S  S142  1  0.000000  0.416101  0.611342  1
  S  S143  1  0.916618  0.040957  0.610302  1
  S  S144  1  -0.000000  0.165621  0.609975  1
