# 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  0.749912  0.500000  1
  W  W2  1  0.086231  0.877695  0.500000  1
  W  W3  1  0.000000  0.498006  0.500000  1
  W  W4  1  0.084556  0.621433  0.500000  1
  W  W5  1  0.170691  0.750857  0.500000  1
  W  W6  1  0.251696  0.876041  0.499999  1
  W  W7  1  0.000000  0.249236  0.500000  1
  W  W8  1  0.083516  0.373739  0.499999  1
  W  W9  1  0.166711  0.498414  0.500000  1
  W  W10  1  0.249989  0.624989  0.500000  1
  W  W11  1  0.334551  0.750806  0.499999  1
  W  W12  1  0.417313  0.875715  0.499999  1
  W  W13  1  -0.000000  -0.000075  0.500000  1
  W  W14  1  0.083534  0.124786  0.500000  1
  W  W15  1  0.166892  0.249476  0.499999  1
  W  W16  1  0.250237  0.374368  0.499999  1
  W  W17  1  0.333384  0.499838  0.500000  1
  W  W18  1  0.416746  0.625154  0.500000  1
  W  W19  1  0.500000  0.750434  0.500000  1
  W  W20  1  0.582687  0.875715  0.500000  1
  W  W21  1  0.168129  0.000739  0.499999  1
  W  W22  1  0.250546  0.125307  0.499999  1
  W  W23  1  0.333616  0.250014  0.499999  1
  W  W24  1  0.416737  0.375018  0.500000  1
  W  W25  1  0.500000  0.500080  0.500000  1
  W  W26  1  0.583254  0.625154  0.500000  1
  W  W27  1  0.665449  0.750806  0.500000  1
  W  W28  1  0.748304  0.876041  0.500000  1
  W  W29  1  0.334151  0.000838  0.499999  1
  W  W30  1  0.416953  0.125490  0.500000  1
  W  W31  1  0.500000  0.250254  0.500000  1
  W  W32  1  0.583263  0.375018  0.500000  1
  W  W33  1  0.666616  0.499838  0.500000  1
  W  W34  1  0.750011  0.624989  0.500000  1
  W  W35  1  0.829309  0.750857  0.500000  1
  W  W36  1  0.913769  0.877695  0.500000  1
  W  W37  1  0.500000  0.000689  0.500000  1
  W  W38  1  0.583047  0.125490  0.500000  1
  W  W39  1  0.666384  0.250014  0.500000  1
  W  W40  1  0.749763  0.374368  0.500000  1
  W  W41  1  0.833289  0.498414  0.500000  1
  W  W42  1  0.915444  0.621433  0.500000  1
  W  W43  1  0.665849  0.000838  0.500000  1
  W  W44  1  0.749454  0.125307  0.500000  1
  W  W45  1  0.833108  0.249476  0.500000  1
  W  W46  1  0.916484  0.373739  0.500000  1
  W  W47  1  0.831871  0.000739  0.500000  1
  W  W48  1  0.916466  0.124786  0.500000  1
  S  S49  1  0.088439  0.794284  0.389358  1
  S  S50  1  0.168941  0.918151  0.388568  1
  S  S51  1  0.083612  0.539090  0.388666  1
  S  S52  1  0.166444  0.666765  0.390260  1
  S  S53  1  0.252421  0.792788  0.388573  1
  S  S54  1  0.334491  0.917608  0.389045  1
  S  S55  1  0.083426  0.290718  0.389164  1
  S  S56  1  0.166857  0.415466  0.389134  1
  S  S57  1  0.249924  0.541382  0.389521  1
  S  S58  1  0.333467  0.666895  0.389483  1
  S  S59  1  0.417305  0.792293  0.389043  1
  S  S60  1  0.500000  0.917464  0.388974  1
  S  S61  1  0.083637  0.041554  0.389425  1
  S  S62  1  0.166872  0.166380  0.389199  1
  S  S63  1  0.250198  0.291244  0.389196  1
  S  S64  1  0.333381  0.416536  0.389295  1
  S  S65  1  0.416630  0.541753  0.389371  1
  S  S66  1  0.500000  0.666885  0.389344  1
  S  S67  1  0.582695  0.792293  0.389043  1
  S  S68  1  0.665509  0.917608  0.389044  1
  S  S69  1  0.250913  0.042341  0.389011  1
  S  S70  1  0.333683  0.166937  0.389121  1
  S  S71  1  0.416765  0.291825  0.389182  1
  S  S72  1  0.500000  0.416772  0.389288  1
  S  S73  1  0.583370  0.541753  0.389371  1
  S  S74  1  0.666533  0.666895  0.389483  1
  S  S75  1  0.747579  0.792788  0.388572  1
  S  S76  1  0.831059  0.918151  0.388567  1
  S  S77  1  0.417058  0.042375  0.389026  1
  S  S78  1  0.500000  0.167128  0.389080  1
  S  S79  1  0.583235  0.291825  0.389182  1
  S  S80  1  0.666619  0.416536  0.389294  1
  S  S81  1  0.750076  0.541382  0.389521  1
  S  S82  1  0.833556  0.666765  0.390260  1
  S  S83  1  0.911561  0.794284  0.389358  1
  S  S84  1  0.000000  0.916422  0.390237  1
  S  S85  1  0.582942  0.042375  0.389025  1
  S  S86  1  0.666317  0.166937  0.389121  1
  S  S87  1  0.749802  0.291244  0.389196  1
  S  S88  1  0.833143  0.415466  0.389134  1
  S  S89  1  0.916388  0.539090  0.388666  1
  S  S90  1  0.000000  0.661475  0.389409  1
  S  S91  1  0.749087  0.042341  0.389011  1
  S  S92  1  0.833128  0.166380  0.389199  1
  S  S93  1  0.916574  0.290718  0.389164  1
  S  S94  1  0.000000  0.415018  0.389163  1
  S  S95  1  0.916363  0.041554  0.389425  1
  S  S96  1  0.000000  0.166097  0.389267  1
  S  S97  1  0.088439  0.794284  0.610642  1
  S  S98  1  0.168941  0.918151  0.611433  1
  S  S99  1  0.083612  0.539090  0.611334  1
  S  S100  1  0.166444  0.666765  0.609740  1
  S  S101  1  0.252421  0.792788  0.611428  1
  S  S102  1  0.334491  0.917608  0.610956  1
  S  S103  1  0.083426  0.290718  0.610836  1
  S  S104  1  0.166857  0.415466  0.610867  1
  S  S105  1  0.249924  0.541382  0.610479  1
  S  S106  1  0.333467  0.666895  0.610517  1
  S  S107  1  0.417305  0.792293  0.610957  1
  S  S108  1  0.500000  0.917464  0.611026  1
  S  S109  1  0.083637  0.041554  0.610575  1
  S  S110  1  0.166872  0.166380  0.610802  1
  S  S111  1  0.250198  0.291244  0.610804  1
  S  S112  1  0.333381  0.416536  0.610706  1
  S  S113  1  0.416630  0.541753  0.610629  1
  S  S114  1  0.500000  0.666885  0.610656  1
  S  S115  1  0.582695  0.792293  0.610957  1
  S  S116  1  0.665509  0.917608  0.610956  1
  S  S117  1  0.250913  0.042341  0.610989  1
  S  S118  1  0.333683  0.166937  0.610880  1
  S  S119  1  0.416765  0.291825  0.610818  1
  S  S120  1  0.500000  0.416772  0.610712  1
  S  S121  1  0.583370  0.541753  0.610629  1
  S  S122  1  0.666533  0.666895  0.610517  1
  S  S123  1  0.747579  0.792788  0.611427  1
  S  S124  1  0.831059  0.918151  0.611433  1
  S  S125  1  0.417058  0.042375  0.610975  1
  S  S126  1  0.500000  0.167128  0.610921  1
  S  S127  1  0.583235  0.291825  0.610818  1
  S  S128  1  0.666619  0.416536  0.610706  1
  S  S129  1  0.750076  0.541382  0.610479  1
  S  S130  1  0.833556  0.666765  0.609740  1
  S  S131  1  0.911561  0.794284  0.610642  1
  S  S132  1  -0.000000  0.916422  0.609763  1
  S  S133  1  0.582942  0.042375  0.610975  1
  S  S134  1  0.666317  0.166937  0.610880  1
  S  S135  1  0.749802  0.291244  0.610804  1
  S  S136  1  0.833143  0.415466  0.610867  1
  S  S137  1  0.916388  0.539090  0.611334  1
  S  S138  1  -0.000000  0.661475  0.610591  1
  S  S139  1  0.749087  0.042341  0.610989  1
  S  S140  1  0.833128  0.166380  0.610801  1
  S  S141  1  0.916574  0.290718  0.610836  1
  S  S142  1  -0.000000  0.415018  0.610838  1
  S  S143  1  0.916363  0.041554  0.610575  1
  S  S144  1  -0.000000  0.166097  0.610734  1
