# 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  0.791725  0.371281  1
  W  W2  1  0.000509  0.750089  0.500718  1
  W  W3  1  0.083333  0.874670  0.500588  1
  W  W4  1  -0.000057  0.499788  0.500066  1
  W  W5  1  0.083333  0.625059  0.500537  1
  W  W6  1  0.166158  0.750089  0.500718  1
  W  W7  1  0.250032  0.875057  0.500499  1
  W  W8  1  -0.000029  0.250040  0.499971  1
  W  W9  1  0.083333  0.375034  0.499928  1
  W  W10  1  0.166724  0.499788  0.500066  1
  W  W11  1  0.250139  0.624763  0.500448  1
  W  W12  1  0.333640  0.750012  0.500433  1
  W  W13  1  0.416869  0.875044  0.500047  1
  W  W14  1  -0.000121  0.000235  0.500451  1
  W  W15  1  0.083333  0.125242  0.500163  1
  W  W16  1  0.166695  0.250040  0.499971  1
  W  W17  1  0.249966  0.374966  0.499962  1
  W  W18  1  0.333414  0.499905  0.500007  1
  W  W19  1  0.416850  0.624847  0.500153  1
  W  W20  1  0.500065  0.749984  0.499977  1
  W  W21  1  0.583333  0.875117  0.499949  1
  W  W22  1  0.166788  0.000235  0.500451  1
  W  W23  1  0.250067  0.125123  0.500016  1
  W  W24  1  0.333392  0.250082  0.499948  1
  W  W25  1  0.416731  0.374915  0.499957  1
  W  W26  1  0.499998  0.499898  0.499972  1
  W  W27  1  0.583333  0.624959  0.499962  1
  W  W28  1  0.666602  0.749984  0.499977  1
  W  W29  1  0.749797  0.875044  0.500047  1
  W  W30  1  0.333510  0.000169  0.500063  1
  W  W31  1  0.416744  0.125016  0.499967  1
  W  W32  1  0.499974  0.249998  0.499972  1
  W  W33  1  0.583333  0.374978  0.499977  1
  W  W34  1  0.666668  0.499898  0.499972  1
  W  W35  1  0.749817  0.624847  0.500153  1
  W  W36  1  0.833026  0.750012  0.500433  1
  W  W37  1  0.916634  0.875057  0.500499  1
  W  W38  1  0.500001  0.000045  0.499927  1
  W  W39  1  0.583333  0.125074  0.499970  1
  W  W40  1  0.666692  0.249998  0.499972  1
  W  W41  1  0.749936  0.374915  0.499957  1
  W  W42  1  0.833252  0.499905  0.500007  1
  W  W43  1  0.916527  0.624763  0.500448  1
  W  W44  1  0.666666  0.000045  0.499927  1
  W  W45  1  0.749923  0.125016  0.499968  1
  W  W46  1  0.833275  0.250082  0.499948  1
  W  W47  1  0.916700  0.374966  0.499962  1
  W  W48  1  0.833156  0.000169  0.500063  1
  W  W49  1  0.916600  0.125123  0.500016  1
  S  S50  1  0.166560  0.916686  0.389959  1
  S  S51  1  0.083333  0.541845  0.389507  1
  S  S52  1  0.166707  0.666737  0.389949  1
  S  S53  1  0.249859  0.791560  0.390065  1
  S  S54  1  0.333200  0.916610  0.389456  1
  S  S55  1  0.083333  0.291703  0.389158  1
  S  S56  1  0.166657  0.416587  0.389059  1
  S  S57  1  0.250002  0.541554  0.389302  1
  S  S58  1  0.333384  0.666630  0.389627  1
  S  S59  1  0.416732  0.791709  0.389261  1
  S  S60  1  0.500027  0.916762  0.389068  1
  S  S61  1  0.083333  0.041758  0.389624  1
  S  S62  1  0.166664  0.166731  0.389187  1
  S  S63  1  0.250031  0.291655  0.389118  1
  S  S64  1  0.333374  0.416599  0.389172  1
  S  S65  1  0.416727  0.541602  0.389166  1
  S  S66  1  0.499999  0.666599  0.389170  1
  S  S67  1  0.583333  0.791687  0.389142  1
  S  S68  1  0.666640  0.916762  0.389068  1
  S  S69  1  0.250083  0.041728  0.389321  1
  S  S70  1  0.333390  0.166735  0.389169  1
  S  S71  1  0.416705  0.291656  0.389084  1
  S  S72  1  0.500019  0.416589  0.389113  1
  S  S73  1  0.583333  0.541583  0.389177  1
  S  S74  1  0.666667  0.666599  0.389170  1
  S  S75  1  0.749935  0.791709  0.389261  1
  S  S76  1  0.833467  0.916610  0.389456  1
  S  S77  1  0.416748  0.041736  0.389072  1
  S  S78  1  0.500037  0.166711  0.389126  1
  S  S79  1  0.583333  0.291642  0.389185  1
  S  S80  1  0.666648  0.416589  0.389113  1
  S  S81  1  0.749940  0.541602  0.389166  1
  S  S82  1  0.833283  0.666630  0.389627  1
  S  S83  1  0.916807  0.791560  0.390065  1
  S  S84  1  0.000107  0.916686  0.389959  1
  S  S85  1  0.583333  0.041722  0.389145  1
  S  S86  1  0.666630  0.166711  0.389126  1
  S  S87  1  0.749962  0.291656  0.389084  1
  S  S88  1  0.833292  0.416599  0.389172  1
  S  S89  1  0.916665  0.541554  0.389302  1
  S  S90  1  -0.000041  0.666737  0.389949  1
  S  S91  1  0.749919  0.041736  0.389072  1
  S  S92  1  0.833277  0.166735  0.389169  1
  S  S93  1  0.916636  0.291655  0.389118  1
  S  S94  1  0.000010  0.416587  0.389059  1
  S  S95  1  0.916584  0.041728  0.389321  1
  S  S96  1  0.000003  0.166731  0.389187  1
  S  S97  1  0.083333  0.791710  0.610811  1
  S  S98  1  0.166890  0.916927  0.611377  1
  S  S99  1  0.083333  0.541513  0.610878  1
  S  S100  1  0.166866  0.666354  0.611454  1
  S  S101  1  0.250310  0.791672  0.611328  1
  S  S102  1  0.333506  0.916762  0.610893  1
  S  S103  1  0.083333  0.291711  0.610754  1
  S  S104  1  0.166679  0.416540  0.610885  1
  S  S105  1  0.250037  0.541291  0.610974  1
  S  S106  1  0.333612  0.666517  0.610989  1
  S  S107  1  0.417013  0.791818  0.610985  1
  S  S108  1  0.500085  0.916772  0.610860  1
  S  S109  1  0.083333  0.041971  0.611017  1
  S  S110  1  0.166742  0.166801  0.610901  1
  S  S111  1  0.250036  0.291664  0.610813  1
  S  S112  1  0.333379  0.416571  0.610758  1
  S  S113  1  0.416759  0.541516  0.610907  1
  S  S114  1  0.500099  0.666626  0.610865  1
  S  S115  1  0.583333  0.791706  0.610737  1
  S  S116  1  0.666581  0.916772  0.610860  1
  S  S117  1  0.250330  0.041882  0.610961  1
  S  S118  1  0.333417  0.166757  0.610764  1
  S  S119  1  0.416699  0.291662  0.610858  1
  S  S120  1  0.500020  0.416585  0.610830  1
  S  S121  1  0.583333  0.541586  0.610765  1
  S  S122  1  0.666568  0.666626  0.610865  1
  S  S123  1  0.749653  0.791818  0.610985  1
  S  S124  1  0.833161  0.916762  0.610893  1
  S  S125  1  0.416792  0.041767  0.610879  1
  S  S126  1  0.500038  0.166706  0.610833  1
  S  S127  1  0.583333  0.291643  0.610783  1
  S  S128  1  0.666647  0.416585  0.610830  1
  S  S129  1  0.749907  0.541516  0.610907  1
  S  S130  1  0.833054  0.666517  0.610989  1
  S  S131  1  0.916356  0.791672  0.611327  1
  S  S132  1  -0.000223  0.916927  0.611377  1
  S  S133  1  0.583333  0.041712  0.610740  1
  S  S134  1  0.666629  0.166706  0.610833  1
  S  S135  1  0.749968  0.291662  0.610858  1
  S  S136  1  0.833288  0.416571  0.610758  1
  S  S137  1  0.916630  0.541291  0.610974  1
  S  S138  1  -0.000199  0.666354  0.611454  1
  S  S139  1  0.749875  0.041767  0.610879  1
  S  S140  1  0.833250  0.166757  0.610764  1
  S  S141  1  0.916631  0.291664  0.610813  1
  S  S142  1  -0.000013  0.416540  0.610885  1
  S  S143  1  0.916337  0.041882  0.610961  1
  S  S144  1  -0.000075  0.166801  0.610901  1
