# 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  0.767489  0.499999  1
  W  W2  1  0.085265  0.877625  0.500000  1
  W  W3  1  0.000000  0.497027  0.500000  1
  W  W4  1  0.082632  0.619617  0.500000  1
  W  W5  1  0.172812  0.752156  0.500000  1
  W  W6  1  0.251982  0.876153  0.499998  1
  W  W7  1  0.000001  0.249176  0.500003  1
  W  W8  1  0.083636  0.373399  0.500000  1
  W  W9  1  0.167343  0.497893  0.500001  1
  W  W10  1  0.249876  0.624774  0.500001  1
  W  W11  1  0.335324  0.750306  0.499999  1
  W  W12  1  0.417383  0.875731  0.499996  1
  W  W13  1  0.000000  0.000213  0.500004  1
  W  W14  1  0.083454  0.124877  0.500006  1
  W  W15  1  0.166999  0.249440  0.500004  1
  W  W16  1  0.250489  0.374187  0.500003  1
  W  W17  1  0.333430  0.499746  0.500003  1
  W  W18  1  0.416773  0.625020  0.500002  1
  W  W19  1  0.500000  0.750220  0.500000  1
  W  W20  1  0.582617  0.875731  0.499995  1
  W  W21  1  0.167759  0.000967  0.500003  1
  W  W22  1  0.250448  0.125329  0.500003  1
  W  W23  1  0.333674  0.250015  0.500001  1
  W  W24  1  0.416799  0.375062  0.500002  1
  W  W25  1  0.500000  0.500058  0.500001  1
  W  W26  1  0.583227  0.625020  0.500001  1
  W  W27  1  0.664674  0.750306  0.499998  1
  W  W28  1  0.748017  0.876154  0.499995  1
  W  W29  1  0.333994  0.000940  0.499997  1
  W  W30  1  0.416916  0.125549  0.499997  1
  W  W31  1  0.500000  0.250341  0.499998  1
  W  W32  1  0.583201  0.375062  0.500000  1
  W  W33  1  0.666570  0.499746  0.499999  1
  W  W34  1  0.750123  0.624774  0.499999  1
  W  W35  1  0.827187  0.752155  0.499998  1
  W  W36  1  0.914734  0.877626  0.499999  1
  W  W37  1  0.500000  0.000710  0.499993  1
  W  W38  1  0.583084  0.125550  0.499995  1
  W  W39  1  0.666327  0.250016  0.499996  1
  W  W40  1  0.749512  0.374187  0.499997  1
  W  W41  1  0.832657  0.497893  0.499998  1
  W  W42  1  0.917368  0.619616  0.500000  1
  W  W43  1  0.666006  0.000940  0.499993  1
  W  W44  1  0.749552  0.125330  0.499997  1
  W  W45  1  0.833002  0.249440  0.499999  1
  W  W46  1  0.916365  0.373400  0.499999  1
  W  W47  1  0.832241  0.000967  0.499999  1
  W  W48  1  0.916547  0.124878  0.500003  1
  S  S49  1  0.091698  0.793491  0.389109  1
  S  S50  1  0.168475  0.918207  0.388989  1
  S  S51  1  0.083860  0.537487  0.388441  1
  S  S52  1  0.165419  0.666663  0.391306  1
  S  S53  1  0.254474  0.793202  0.388277  1
  S  S54  1  0.334569  0.917848  0.388987  1
  S  S55  1  0.083519  0.290505  0.389071  1
  S  S56  1  0.167150  0.414965  0.389037  1
  S  S57  1  0.250081  0.541238  0.389358  1
  S  S58  1  0.333469  0.666533  0.389338  1
  S  S59  1  0.417745  0.792263  0.388969  1
  S  S60  1  0.500000  0.917537  0.388908  1
  S  S61  1  0.083542  0.041765  0.389276  1
  S  S62  1  0.166849  0.166407  0.389126  1
  S  S63  1  0.250349  0.291141  0.389083  1
  S  S64  1  0.333523  0.416479  0.389176  1
  S  S65  1  0.416675  0.541658  0.389297  1
  S  S66  1  0.500000  0.666716  0.389181  1
  S  S67  1  0.582254  0.792264  0.388968  1
  S  S68  1  0.665430  0.917848  0.388985  1
  S  S69  1  0.250757  0.042437  0.388939  1
  S  S70  1  0.333662  0.166963  0.389066  1
  S  S71  1  0.416798  0.291878  0.389123  1
  S  S72  1  0.500000  0.416820  0.389195  1
  S  S73  1  0.583324  0.541658  0.389297  1
  S  S74  1  0.666529  0.666533  0.389338  1
  S  S75  1  0.745525  0.793201  0.388278  1
  S  S76  1  0.831525  0.918207  0.388988  1
  S  S77  1  0.417021  0.042459  0.389036  1
  S  S78  1  0.500000  0.167213  0.389070  1
  S  S79  1  0.583202  0.291878  0.389124  1
  S  S80  1  0.666478  0.416478  0.389176  1
  S  S81  1  0.749919  0.541238  0.389356  1
  S  S82  1  0.834581  0.666662  0.391307  1
  S  S83  1  0.908301  0.793491  0.389109  1
  S  S84  1  -0.000000  0.917033  0.389036  1
  S  S85  1  0.582978  0.042460  0.389036  1
  S  S86  1  0.666338  0.166964  0.389066  1
  S  S87  1  0.749652  0.291141  0.389084  1
  S  S88  1  0.832851  0.414964  0.389038  1
  S  S89  1  0.916140  0.537487  0.388441  1
  S  S90  1  -0.000000  0.660659  0.391860  1
  S  S91  1  0.749244  0.042437  0.388938  1
  S  S92  1  0.833152  0.166408  0.389125  1
  S  S93  1  0.916482  0.290505  0.389072  1
  S  S94  1  0.000001  0.414295  0.388974  1
  S  S95  1  0.916459  0.041766  0.389276  1
  S  S96  1  0.000001  0.166156  0.389109  1
  S  S97  1  0.091697  0.793491  0.610891  1
  S  S98  1  0.168475  0.918207  0.611011  1
  S  S99  1  0.083860  0.537487  0.611563  1
  S  S100  1  0.165419  0.666663  0.608695  1
  S  S101  1  0.254475  0.793202  0.611723  1
  S  S102  1  0.334570  0.917847  0.611012  1
  S  S103  1  0.083519  0.290505  0.610929  1
  S  S104  1  0.167149  0.414964  0.610964  1
  S  S105  1  0.250081  0.541239  0.610645  1
  S  S106  1  0.333469  0.666534  0.610661  1
  S  S107  1  0.417745  0.792263  0.611031  1
  S  S108  1  0.500000  0.917537  0.611092  1
  S  S109  1  0.083541  0.041765  0.610723  1
  S  S110  1  0.166849  0.166407  0.610874  1
  S  S111  1  0.250349  0.291141  0.610917  1
  S  S112  1  0.333522  0.416478  0.610827  1
  S  S113  1  0.416677  0.541659  0.610703  1
  S  S114  1  0.500000  0.666716  0.610819  1
  S  S115  1  0.582254  0.792264  0.611031  1
  S  S116  1  0.665430  0.917848  0.611011  1
  S  S117  1  0.250758  0.042436  0.611062  1
  S  S118  1  0.333662  0.166963  0.610934  1
  S  S119  1  0.416798  0.291877  0.610879  1
  S  S120  1  0.500000  0.416821  0.610808  1
  S  S121  1  0.583324  0.541657  0.610702  1
  S  S122  1  0.666530  0.666534  0.610661  1
  S  S123  1  0.745524  0.793202  0.611722  1
  S  S124  1  0.831525  0.918207  0.611010  1
  S  S125  1  0.417022  0.042459  0.610965  1
  S  S126  1  0.500000  0.167213  0.610931  1
  S  S127  1  0.583202  0.291878  0.610879  1
  S  S128  1  0.666479  0.416479  0.610826  1
  S  S129  1  0.749918  0.541239  0.610644  1
  S  S130  1  0.834580  0.666663  0.608694  1
  S  S131  1  0.908300  0.793491  0.610890  1
  S  S132  1  -0.000000  0.917033  0.610961  1
  S  S133  1  0.582979  0.042459  0.610964  1
  S  S134  1  0.666338  0.166964  0.610935  1
  S  S135  1  0.749652  0.291141  0.610918  1
  S  S136  1  0.832851  0.414964  0.610965  1
  S  S137  1  0.916140  0.537487  0.611563  1
  S  S138  1  -0.000001  0.660659  0.608143  1
  S  S139  1  0.749243  0.042437  0.611060  1
  S  S140  1  0.833152  0.166407  0.610874  1
  S  S141  1  0.916482  0.290505  0.610929  1
  S  S142  1  0.000001  0.414294  0.611029  1
  S  S143  1  0.916458  0.041765  0.610722  1
  S  S144  1  0.000001  0.166156  0.610889  1
