# generated using pymatgen
data_AsW48S95
_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   AsW48S95
_chemical_formula_sum   'As1 W48 S95'
_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  0.083333  0.791686  0.370419  1
  W  W2  1  0.000759  0.750290  0.500770  1
  W  W3  1  0.083333  0.874353  0.500706  1
  W  W4  1  -0.000090  0.499779  0.500044  1
  W  W5  1  0.083333  0.625124  0.500599  1
  W  W6  1  0.165907  0.750290  0.500770  1
  W  W7  1  0.249933  0.874980  0.500583  1
  W  W8  1  -0.000048  0.250069  0.499989  1
  W  W9  1  0.083333  0.375081  0.499929  1
  W  W10  1  0.166757  0.499779  0.500044  1
  W  W11  1  0.250214  0.624723  0.500373  1
  W  W12  1  0.333735  0.749968  0.500383  1
  W  W13  1  0.416927  0.875033  0.500028  1
  W  W14  1  -0.000156  0.000318  0.500386  1
  W  W15  1  0.083333  0.125311  0.500182  1
  W  W16  1  0.166715  0.250069  0.499989  1
  W  W17  1  0.249928  0.375001  0.499982  1
  W  W18  1  0.333468  0.499891  0.499996  1
  W  W19  1  0.416929  0.624821  0.500178  1
  W  W20  1  0.500071  0.749947  0.499977  1
  W  W21  1  0.583333  0.875116  0.499968  1
  W  W22  1  0.166822  0.000318  0.500386  1
  W  W23  1  0.250045  0.125170  0.500007  1
  W  W24  1  0.333408  0.250103  0.499966  1
  W  W25  1  0.416770  0.374907  0.499977  1
  W  W26  1  0.499975  0.499895  0.499990  1
  W  W27  1  0.583333  0.624934  0.499981  1
  W  W28  1  0.666596  0.749947  0.499977  1
  W  W29  1  0.749740  0.875033  0.500028  1
  W  W30  1  0.333534  0.000187  0.500044  1
  W  W31  1  0.416769  0.124992  0.499991  1
  W  W32  1  0.499936  0.250006  0.499994  1
  W  W33  1  0.583333  0.374961  0.500004  1
  W  W34  1  0.666692  0.499895  0.499990  1
  W  W35  1  0.749738  0.624821  0.500178  1
  W  W36  1  0.832931  0.749968  0.500383  1
  W  W37  1  0.916734  0.874980  0.500583  1
  W  W38  1  0.499963  0.000016  0.499928  1
  W  W39  1  0.583333  0.125060  0.499996  1
  W  W40  1  0.666730  0.250006  0.499994  1
  W  W41  1  0.749896  0.374907  0.499977  1
  W  W42  1  0.833199  0.499891  0.499996  1
  W  W43  1  0.916453  0.624723  0.500373  1
  W  W44  1  0.666704  0.000016  0.499928  1
  W  W45  1  0.749897  0.124992  0.499991  1
  W  W46  1  0.833259  0.250103  0.499966  1
  W  W47  1  0.916739  0.375001  0.499982  1
  W  W48  1  0.833133  0.000187  0.500044  1
  W  W49  1  0.916621  0.125170  0.500007  1
  S  S50  1  0.166548  0.916721  0.390212  1
  S  S51  1  0.083333  0.541918  0.389661  1
  S  S52  1  0.166764  0.666738  0.390194  1
  S  S53  1  0.249940  0.791527  0.390257  1
  S  S54  1  0.333116  0.916547  0.389634  1
  S  S55  1  0.083333  0.291744  0.389283  1
  S  S56  1  0.166643  0.416590  0.389128  1
  S  S57  1  0.250032  0.541481  0.389385  1
  S  S58  1  0.333477  0.666579  0.389684  1
  S  S59  1  0.416828  0.791728  0.389329  1
  S  S60  1  0.500049  0.916764  0.389138  1
  S  S61  1  0.083333  0.041842  0.389707  1
  S  S62  1  0.166648  0.166775  0.389276  1
  S  S63  1  0.250048  0.291678  0.389221  1
  S  S64  1  0.333392  0.416596  0.389288  1
  S  S65  1  0.416760  0.541601  0.389243  1
  S  S66  1  0.500028  0.666579  0.389253  1
  S  S67  1  0.583333  0.791650  0.389267  1
  S  S68  1  0.666618  0.916764  0.389138  1
  S  S69  1  0.250172  0.041786  0.389409  1
  S  S70  1  0.333398  0.166741  0.389293  1
  S  S71  1  0.416698  0.291669  0.389148  1
  S  S72  1  0.500037  0.416586  0.389206  1
  S  S73  1  0.583333  0.541564  0.389293  1
  S  S74  1  0.666639  0.666579  0.389253  1
  S  S75  1  0.749839  0.791728  0.389329  1
  S  S76  1  0.833550  0.916547  0.389634  1
  S  S77  1  0.416768  0.041733  0.389149  1
  S  S78  1  0.500048  0.166710  0.389232  1
  S  S79  1  0.583333  0.291626  0.389300  1
  S  S80  1  0.666630  0.416586  0.389206  1
  S  S81  1  0.749906  0.541601  0.389243  1
  S  S82  1  0.833190  0.666579  0.389684  1
  S  S83  1  0.916726  0.791527  0.390257  1
  S  S84  1  0.000118  0.916721  0.390212  1
  S  S85  1  0.583333  0.041673  0.389278  1
  S  S86  1  0.666619  0.166710  0.389232  1
  S  S87  1  0.749969  0.291669  0.389148  1
  S  S88  1  0.833274  0.416596  0.389288  1
  S  S89  1  0.916635  0.541481  0.389385  1
  S  S90  1  -0.000097  0.666738  0.390194  1
  S  S91  1  0.749899  0.041733  0.389149  1
  S  S92  1  0.833269  0.166741  0.389293  1
  S  S93  1  0.916619  0.291678  0.389221  1
  S  S94  1  0.000024  0.416590  0.389128  1
  S  S95  1  0.916495  0.041786  0.389409  1
  S  S96  1  0.000019  0.166775  0.389276  1
  S  S97  1  0.083333  0.791691  0.611101  1
  S  S98  1  0.166748  0.917005  0.611206  1
  S  S99  1  0.083333  0.541540  0.610720  1
  S  S100  1  0.166997  0.666435  0.611247  1
  S  S101  1  0.250345  0.791531  0.611183  1
  S  S102  1  0.333491  0.916734  0.610738  1
  S  S103  1  0.083333  0.291749  0.610640  1
  S  S104  1  0.166676  0.416557  0.610828  1
  S  S105  1  0.250064  0.541238  0.610854  1
  S  S106  1  0.333669  0.666483  0.610839  1
  S  S107  1  0.417083  0.791837  0.610886  1
  S  S108  1  0.500099  0.916762  0.610796  1
  S  S109  1  0.083333  0.042027  0.610854  1
  S  S110  1  0.166732  0.166846  0.610836  1
  S  S111  1  0.250051  0.291686  0.610715  1
  S  S112  1  0.333394  0.416568  0.610644  1
  S  S113  1  0.416786  0.541510  0.610857  1
  S  S114  1  0.500122  0.666606  0.610823  1
  S  S115  1  0.583333  0.791674  0.610642  1
  S  S116  1  0.666568  0.916762  0.610796  1
  S  S117  1  0.250403  0.041926  0.610841  1
  S  S118  1  0.333422  0.166763  0.610642  1
  S  S119  1  0.416695  0.291672  0.610783  1
  S  S120  1  0.500038  0.416578  0.610742  1
  S  S121  1  0.583333  0.541560  0.610672  1
  S  S122  1  0.666544  0.666606  0.610823  1
  S  S123  1  0.749584  0.791837  0.610886  1
  S  S124  1  0.833176  0.916734  0.610738  1
  S  S125  1  0.416790  0.041763  0.610811  1
  S  S126  1  0.500059  0.166707  0.610729  1
  S  S127  1  0.583333  0.291624  0.610667  1
  S  S128  1  0.666629  0.416578  0.610742  1
  S  S129  1  0.749880  0.541510  0.610857  1
  S  S130  1  0.832998  0.666483  0.610839  1
  S  S131  1  0.916322  0.791531  0.611183  1
  S  S132  1  -0.000082  0.917005  0.611206  1
  S  S133  1  0.583333  0.041671  0.610605  1
  S  S134  1  0.666607  0.166707  0.610729  1
  S  S135  1  0.749972  0.291672  0.610783  1
  S  S136  1  0.833273  0.416568  0.610644  1
  S  S137  1  0.916603  0.541238  0.610854  1
  S  S138  1  -0.000330  0.666435  0.611247  1
  S  S139  1  0.749877  0.041763  0.610811  1
  S  S140  1  0.833245  0.166763  0.610642  1
  S  S141  1  0.916615  0.291686  0.610715  1
  S  S142  1  -0.000009  0.416557  0.610828  1
  S  S143  1  0.916264  0.041926  0.610841  1
  S  S144  1  -0.000065  0.166846  0.610836  1
