# generated using pymatgen
data_AsW47S96
_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   AsW47S96
_chemical_formula_sum   'As1 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
  As  As1  1  0.000000  0.749891  0.500000  1
  W  W2  1  0.085401  0.877358  0.500000  1
  W  W3  1  -0.000000  0.498235  0.499999  1
  W  W4  1  0.084715  0.622205  0.500000  1
  W  W5  1  0.170016  0.750359  0.500000  1
  W  W6  1  0.251591  0.875813  0.500001  1
  W  W7  1  -0.000000  0.249240  0.500000  1
  W  W8  1  0.082909  0.374381  0.499999  1
  W  W9  1  0.166173  0.498978  0.499999  1
  W  W10  1  0.249363  0.625352  0.500000  1
  W  W11  1  0.333993  0.750879  0.500001  1
  W  W12  1  0.416816  0.875611  0.500001  1
  W  W13  1  0.000000  -0.000760  0.500000  1
  W  W14  1  0.084190  0.124666  0.500000  1
  W  W15  1  0.166996  0.248960  0.500000  1
  W  W16  1  0.250690  0.374941  0.500000  1
  W  W17  1  0.333018  0.499704  0.500000  1
  W  W18  1  0.416922  0.625525  0.500000  1
  W  W19  1  0.500000  0.750092  0.500001  1
  W  W20  1  0.583184  0.875611  0.500001  1
  W  W21  1  0.167916  0.000060  0.500000  1
  W  W22  1  0.249737  0.125339  0.500000  1
  W  W23  1  0.333459  0.250071  0.500000  1
  W  W24  1  0.415431  0.375353  0.500000  1
  W  W25  1  0.500000  0.500309  0.500000  1
  W  W26  1  0.583078  0.625525  0.500000  1
  W  W27  1  0.666007  0.750879  0.500000  1
  W  W28  1  0.748409  0.875813  0.500000  1
  W  W29  1  0.333767  0.000009  0.500001  1
  W  W30  1  0.417585  0.125987  0.500000  1
  W  W31  1  0.500000  0.249452  0.500000  1
  W  W32  1  0.584569  0.375353  0.500000  1
  W  W33  1  0.666982  0.499704  0.500000  1
  W  W34  1  0.750637  0.625352  0.500000  1
  W  W35  1  0.829984  0.750359  0.500000  1
  W  W36  1  0.914599  0.877358  0.500000  1
  W  W37  1  0.500000  0.000488  0.500001  1
  W  W38  1  0.582415  0.125987  0.500000  1
  W  W39  1  0.666541  0.250071  0.500000  1
  W  W40  1  0.749310  0.374941  0.499999  1
  W  W41  1  0.833827  0.498978  0.499999  1
  W  W42  1  0.915285  0.622205  0.500000  1
  W  W43  1  0.666233  0.000009  0.500000  1
  W  W44  1  0.750263  0.125339  0.500000  1
  W  W45  1  0.833004  0.248960  0.500000  1
  W  W46  1  0.917091  0.374381  0.499999  1
  W  W47  1  0.832084  0.000060  0.500000  1
  W  W48  1  0.915810  0.124666  0.500000  1
  S  S49  1  0.088302  0.794182  0.387047  1
  S  S50  1  0.168412  0.917416  0.388661  1
  S  S51  1  0.083229  0.539897  0.388712  1
  S  S52  1  0.166161  0.666926  0.389898  1
  S  S53  1  0.251553  0.792595  0.388664  1
  S  S54  1  0.334224  0.917208  0.388852  1
  S  S55  1  0.083478  0.290886  0.389669  1
  S  S56  1  0.166699  0.415752  0.389537  1
  S  S57  1  0.249615  0.541713  0.389731  1
  S  S58  1  0.333168  0.666943  0.389683  1
  S  S59  1  0.417133  0.792163  0.389335  1
  S  S60  1  0.500000  0.917263  0.389298  1
  S  S61  1  0.083518  0.041191  0.389671  1
  S  S62  1  0.166788  0.166308  0.388876  1
  S  S63  1  0.250042  0.291461  0.389491  1
  S  S64  1  0.333049  0.416951  0.388841  1
  S  S65  1  0.416472  0.541911  0.389720  1
  S  S66  1  0.500000  0.666943  0.389205  1
  S  S67  1  0.582867  0.792163  0.389335  1
  S  S68  1  0.665776  0.917208  0.388852  1
  S  S69  1  0.250756  0.042038  0.389393  1
  S  S70  1  0.333445  0.166799  0.389476  1
  S  S71  1  0.416831  0.291868  0.389610  1
  S  S72  1  0.500000  0.416594  0.390136  1
  S  S73  1  0.583528  0.541911  0.389720  1
  S  S74  1  0.666832  0.666943  0.389683  1
  S  S75  1  0.748447  0.792595  0.388664  1
  S  S76  1  0.831588  0.917416  0.388661  1
  S  S77  1  0.416804  0.042337  0.389645  1
  S  S78  1  0.500000  0.167091  0.388503  1
  S  S79  1  0.583169  0.291868  0.389610  1
  S  S80  1  0.666951  0.416951  0.388841  1
  S  S81  1  0.750385  0.541714  0.389731  1
  S  S82  1  0.833839  0.666926  0.389898  1
  S  S83  1  0.911698  0.794182  0.387047  1
  S  S84  1  -0.000000  0.916094  0.389902  1
  S  S85  1  0.583196  0.042337  0.389645  1
  S  S86  1  0.666555  0.166799  0.389476  1
  S  S87  1  0.749958  0.291461  0.389491  1
  S  S88  1  0.833301  0.415752  0.389537  1
  S  S89  1  0.916771  0.539897  0.388712  1
  S  S90  1  0.000000  0.661594  0.387117  1
  S  S91  1  0.749244  0.042038  0.389393  1
  S  S92  1  0.833212  0.166308  0.388876  1
  S  S93  1  0.916521  0.290886  0.389669  1
  S  S94  1  -0.000000  0.415504  0.388861  1
  S  S95  1  0.916482  0.041191  0.389671  1
  S  S96  1  -0.000000  0.165814  0.389782  1
  S  S97  1  0.088302  0.794182  0.612953  1
  S  S98  1  0.168412  0.917416  0.611339  1
  S  S99  1  0.083229  0.539897  0.611289  1
  S  S100  1  0.166161  0.666926  0.610102  1
  S  S101  1  0.251553  0.792595  0.611335  1
  S  S102  1  0.334224  0.917208  0.611147  1
  S  S103  1  0.083479  0.290886  0.610332  1
  S  S104  1  0.166699  0.415752  0.610463  1
  S  S105  1  0.249615  0.541714  0.610269  1
  S  S106  1  0.333168  0.666943  0.610317  1
  S  S107  1  0.417133  0.792163  0.610664  1
  S  S108  1  0.500000  0.917263  0.610702  1
  S  S109  1  0.083518  0.041191  0.610329  1
  S  S110  1  0.166788  0.166308  0.611124  1
  S  S111  1  0.250042  0.291461  0.610509  1
  S  S112  1  0.333049  0.416951  0.611159  1
  S  S113  1  0.416472  0.541911  0.610280  1
  S  S114  1  0.500000  0.666943  0.610794  1
  S  S115  1  0.582867  0.792163  0.610664  1
  S  S116  1  0.665776  0.917208  0.611148  1
  S  S117  1  0.250756  0.042038  0.610607  1
  S  S118  1  0.333445  0.166799  0.610524  1
  S  S119  1  0.416831  0.291868  0.610390  1
  S  S120  1  0.500000  0.416594  0.609864  1
  S  S121  1  0.583528  0.541911  0.610280  1
  S  S122  1  0.666832  0.666943  0.610317  1
  S  S123  1  0.748447  0.792595  0.611335  1
  S  S124  1  0.831588  0.917416  0.611339  1
  S  S125  1  0.416804  0.042337  0.610354  1
  S  S126  1  0.500000  0.167091  0.611498  1
  S  S127  1  0.583169  0.291868  0.610390  1
  S  S128  1  0.666951  0.416951  0.611159  1
  S  S129  1  0.750385  0.541714  0.610269  1
  S  S130  1  0.833839  0.666926  0.610102  1
  S  S131  1  0.911698  0.794182  0.612953  1
  S  S132  1  0.000000  0.916094  0.610098  1
  S  S133  1  0.583196  0.042337  0.610354  1
  S  S134  1  0.666555  0.166799  0.610524  1
  S  S135  1  0.749958  0.291461  0.610509  1
  S  S136  1  0.833301  0.415752  0.610463  1
  S  S137  1  0.916771  0.539897  0.611289  1
  S  S138  1  -0.000000  0.661594  0.612883  1
  S  S139  1  0.749244  0.042038  0.610607  1
  S  S140  1  0.833212  0.166308  0.611124  1
  S  S141  1  0.916521  0.290886  0.610332  1
  S  S142  1  0.000000  0.415504  0.611140  1
  S  S143  1  0.916482  0.041191  0.610329  1
  S  S144  1  0.000000  0.165814  0.610218  1
