# 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  0.749879  0.500000  1
  W  W2  1  0.085553  0.877260  0.500000  1
  W  W3  1  0.000000  0.498335  0.500002  1
  W  W4  1  0.084516  0.622139  0.500001  1
  W  W5  1  0.169983  0.750548  0.500001  1
  W  W6  1  0.251440  0.875814  0.500001  1
  W  W7  1  -0.000000  0.249139  0.500000  1
  W  W8  1  0.083392  0.373936  0.500002  1
  W  W9  1  0.166153  0.498865  0.500002  1
  W  W10  1  0.249593  0.625269  0.500002  1
  W  W11  1  0.334029  0.750946  0.500002  1
  W  W12  1  0.417194  0.875635  0.500001  1
  W  W13  1  -0.000000  -0.000570  0.499997  1
  W  W14  1  0.083555  0.124563  0.499999  1
  W  W15  1  0.166798  0.249329  0.500000  1
  W  W16  1  0.250108  0.374655  0.500001  1
  W  W17  1  0.333249  0.500041  0.500002  1
  W  W18  1  0.416676  0.625364  0.500001  1
  W  W19  1  0.500000  0.750432  0.500000  1
  W  W20  1  0.582806  0.875635  0.499996  1
  W  W21  1  0.168006  0.000077  0.500000  1
  W  W22  1  0.250307  0.125087  0.500001  1
  W  W23  1  0.333477  0.250093  0.500001  1
  W  W24  1  0.416452  0.375230  0.500002  1
  W  W25  1  0.500000  0.500403  0.500001  1
  W  W26  1  0.583323  0.625364  0.500000  1
  W  W27  1  0.665971  0.750946  0.499997  1
  W  W28  1  0.748559  0.875814  0.499994  1
  W  W29  1  0.333964  0.000531  0.500001  1
  W  W30  1  0.417061  0.125456  0.500000  1
  W  W31  1  0.500000  0.250176  0.500001  1
  W  W32  1  0.583548  0.375230  0.500001  1
  W  W33  1  0.666751  0.500041  0.500001  1
  W  W34  1  0.750407  0.625269  0.499999  1
  W  W35  1  0.830017  0.750548  0.499998  1
  W  W36  1  0.914448  0.877260  0.499997  1
  W  W37  1  0.500000  0.000470  0.499998  1
  W  W38  1  0.582939  0.125456  0.499998  1
  W  W39  1  0.666523  0.250093  0.499999  1
  W  W40  1  0.749892  0.374655  0.500000  1
  W  W41  1  0.833847  0.498865  0.500001  1
  W  W42  1  0.915484  0.622139  0.500001  1
  W  W43  1  0.666036  0.000532  0.499994  1
  W  W44  1  0.749693  0.125087  0.499996  1
  W  W45  1  0.833202  0.249329  0.499999  1
  W  W46  1  0.916608  0.373936  0.500001  1
  W  W47  1  0.831994  0.000077  0.499993  1
  W  W48  1  0.916445  0.124563  0.499996  1
  S  S49  1  0.088319  0.794200  0.386975  1
  S  S50  1  0.168438  0.917441  0.388618  1
  S  S51  1  0.083218  0.539833  0.388694  1
  S  S52  1  0.166189  0.666921  0.390089  1
  S  S53  1  0.251607  0.792660  0.388643  1
  S  S54  1  0.334295  0.917384  0.389104  1
  S  S55  1  0.083351  0.290735  0.389389  1
  S  S56  1  0.166651  0.415795  0.389331  1
  S  S57  1  0.249628  0.541642  0.389728  1
  S  S58  1  0.333190  0.667038  0.389627  1
  S  S59  1  0.417093  0.792242  0.389238  1
  S  S60  1  0.500000  0.917327  0.389106  1
  S  S61  1  0.083583  0.041179  0.389618  1
  S  S62  1  0.166802  0.166201  0.389341  1
  S  S63  1  0.250029  0.291388  0.389459  1
  S  S64  1  0.333179  0.416773  0.389439  1
  S  S65  1  0.416542  0.541970  0.389515  1
  S  S66  1  0.500000  0.667018  0.389458  1
  S  S67  1  0.582907  0.792242  0.389240  1
  S  S68  1  0.665704  0.917384  0.389106  1
  S  S69  1  0.250708  0.042009  0.389204  1
  S  S70  1  0.333538  0.166844  0.389440  1
  S  S71  1  0.416741  0.291914  0.389473  1
  S  S72  1  0.500000  0.416972  0.389640  1
  S  S73  1  0.583459  0.541970  0.389515  1
  S  S74  1  0.666810  0.667038  0.389628  1
  S  S75  1  0.748393  0.792660  0.388646  1
  S  S76  1  0.831562  0.917441  0.388621  1
  S  S77  1  0.416996  0.042213  0.389289  1
  S  S78  1  0.500000  0.167121  0.389214  1
  S  S79  1  0.583259  0.291914  0.389474  1
  S  S80  1  0.666821  0.416773  0.389439  1
  S  S81  1  0.750372  0.541642  0.389729  1
  S  S82  1  0.833811  0.666921  0.390090  1
  S  S83  1  0.911681  0.794200  0.386976  1
  S  S84  1  -0.000000  0.916111  0.390072  1
  S  S85  1  0.583004  0.042213  0.389291  1
  S  S86  1  0.666462  0.166844  0.389442  1
  S  S87  1  0.749971  0.291388  0.389460  1
  S  S88  1  0.833349  0.415795  0.389332  1
  S  S89  1  0.916782  0.539833  0.388694  1
  S  S90  1  0.000000  0.661566  0.387019  1
  S  S91  1  0.749292  0.042009  0.389207  1
  S  S92  1  0.833198  0.166201  0.389342  1
  S  S93  1  0.916649  0.290735  0.389390  1
  S  S94  1  -0.000000  0.415260  0.389263  1
  S  S95  1  0.916416  0.041179  0.389619  1
  S  S96  1  -0.000000  0.165904  0.389452  1
  S  S97  1  0.088319  0.794200  0.613025  1
  S  S98  1  0.168438  0.917441  0.611382  1
  S  S99  1  0.083218  0.539832  0.611304  1
  S  S100  1  0.166189  0.666921  0.609909  1
  S  S101  1  0.251607  0.792660  0.611356  1
  S  S102  1  0.334296  0.917384  0.610895  1
  S  S103  1  0.083351  0.290736  0.610610  1
  S  S104  1  0.166651  0.415795  0.610667  1
  S  S105  1  0.249628  0.541642  0.610270  1
  S  S106  1  0.333190  0.667038  0.610371  1
  S  S107  1  0.417093  0.792242  0.610761  1
  S  S108  1  0.500000  0.917327  0.610895  1
  S  S109  1  0.083584  0.041179  0.610384  1
  S  S110  1  0.166802  0.166201  0.610660  1
  S  S111  1  0.250029  0.291388  0.610540  1
  S  S112  1  0.333179  0.416773  0.610560  1
  S  S113  1  0.416541  0.541969  0.610484  1
  S  S114  1  0.500000  0.667018  0.610542  1
  S  S115  1  0.582907  0.792242  0.610762  1
  S  S116  1  0.665704  0.917384  0.610898  1
  S  S117  1  0.250709  0.042009  0.610796  1
  S  S118  1  0.333538  0.166844  0.610559  1
  S  S119  1  0.416741  0.291914  0.610525  1
  S  S120  1  0.500000  0.416973  0.610359  1
  S  S121  1  0.583458  0.541970  0.610484  1
  S  S122  1  0.666810  0.667038  0.610373  1
  S  S123  1  0.748393  0.792660  0.611358  1
  S  S124  1  0.831562  0.917440  0.611385  1
  S  S125  1  0.416996  0.042213  0.610711  1
  S  S126  1  0.500000  0.167121  0.610786  1
  S  S127  1  0.583258  0.291914  0.610526  1
  S  S128  1  0.666821  0.416773  0.610560  1
  S  S129  1  0.750372  0.541642  0.610271  1
  S  S130  1  0.833811  0.666921  0.609911  1
  S  S131  1  0.911681  0.794200  0.613026  1
  S  S132  1  0.000000  0.916111  0.609930  1
  S  S133  1  0.583003  0.042212  0.610712  1
  S  S134  1  0.666462  0.166844  0.610561  1
  S  S135  1  0.749971  0.291388  0.610541  1
  S  S136  1  0.833349  0.415795  0.610668  1
  S  S137  1  0.916782  0.539832  0.611305  1
  S  S138  1  0.000000  0.661566  0.612980  1
  S  S139  1  0.749291  0.042009  0.610799  1
  S  S140  1  0.833198  0.166202  0.610661  1
  S  S141  1  0.916649  0.290736  0.610610  1
  S  S142  1  0.000000  0.415260  0.610735  1
  S  S143  1  0.916416  0.041179  0.610384  1
  S  S144  1  0.000000  0.165905  0.610550  1
