# 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  0.791752  0.371787  1
  W  W2  1  0.000343  0.749982  0.500715  1
  W  W3  1  0.083333  0.874845  0.500558  1
  W  W4  1  -0.000045  0.499805  0.500067  1
  W  W5  1  0.083333  0.625008  0.500477  1
  W  W6  1  0.166323  0.749982  0.500715  1
  W  W7  1  0.250085  0.875101  0.500428  1
  W  W8  1  -0.000017  0.250012  0.499968  1
  W  W9  1  0.083333  0.375005  0.499933  1
  W  W10  1  0.166712  0.499805  0.500067  1
  W  W11  1  0.250098  0.624779  0.500471  1
  W  W12  1  0.333597  0.750038  0.500450  1
  W  W13  1  0.416830  0.875048  0.500049  1
  W  W14  1  -0.000118  0.000197  0.500473  1
  W  W15  1  0.083333  0.125164  0.500153  1
  W  W16  1  0.166684  0.250012  0.499968  1
  W  W17  1  0.249975  0.374958  0.499961  1
  W  W18  1  0.333377  0.499920  0.500007  1
  W  W19  1  0.416791  0.624889  0.500142  1
  W  W20  1  0.500057  0.750021  0.499978  1
  W  W21  1  0.583333  0.875107  0.499946  1
  W  W22  1  0.166785  0.000197  0.500473  1
  W  W23  1  0.250075  0.125084  0.500015  1
  W  W24  1  0.333380  0.250053  0.499958  1
  W  W25  1  0.416707  0.374933  0.499962  1
  W  W26  1  0.499996  0.499928  0.499974  1
  W  W27  1  0.583333  0.624988  0.499958  1
  W  W28  1  0.666609  0.750021  0.499978  1
  W  W29  1  0.749837  0.875048  0.500049  1
  W  W30  1  0.333489  0.000143  0.500064  1
  W  W31  1  0.416726  0.125014  0.499969  1
  W  W32  1  0.499989  0.249999  0.499981  1
  W  W33  1  0.583333  0.374989  0.499981  1
  W  W34  1  0.666671  0.499928  0.499974  1
  W  W35  1  0.749876  0.624889  0.500142  1
  W  W36  1  0.833070  0.750038  0.500450  1
  W  W37  1  0.916581  0.875101  0.500428  1
  W  W38  1  0.500014  0.000047  0.499929  1
  W  W39  1  0.583333  0.125062  0.499975  1
  W  W40  1  0.666678  0.249999  0.499981  1
  W  W41  1  0.749960  0.374933  0.499962  1
  W  W42  1  0.833289  0.499920  0.500007  1
  W  W43  1  0.916569  0.624779  0.500471  1
  W  W44  1  0.666652  0.000047  0.499929  1
  W  W45  1  0.749941  0.125014  0.499969  1
  W  W46  1  0.833287  0.250053  0.499958  1
  W  W47  1  0.916692  0.374958  0.499961  1
  W  W48  1  0.833178  0.000143  0.500064  1
  W  W49  1  0.916591  0.125084  0.500015  1
  S  S50  1  0.166540  0.916649  0.389881  1
  S  S51  1  0.083333  0.541799  0.389471  1
  S  S52  1  0.166672  0.666770  0.389876  1
  S  S53  1  0.249786  0.791573  0.390008  1
  S  S54  1  0.333242  0.916643  0.389399  1
  S  S55  1  0.083333  0.291678  0.389156  1
  S  S56  1  0.166655  0.416604  0.389101  1
  S  S57  1  0.249968  0.541601  0.389319  1
  S  S58  1  0.333317  0.666665  0.389630  1
  S  S59  1  0.416678  0.791710  0.389273  1
  S  S60  1  0.500008  0.916743  0.389104  1
  S  S61  1  0.083333  0.041690  0.389628  1
  S  S62  1  0.166667  0.166675  0.389213  1
  S  S63  1  0.250015  0.291644  0.389135  1
  S  S64  1  0.333354  0.416623  0.389179  1
  S  S65  1  0.416687  0.541631  0.389194  1
  S  S66  1  0.499976  0.666634  0.389203  1
  S  S67  1  0.583333  0.791700  0.389149  1
  S  S68  1  0.666658  0.916743  0.389104  1
  S  S69  1  0.250045  0.041675  0.389336  1
  S  S70  1  0.333371  0.166705  0.389172  1
  S  S71  1  0.416699  0.291653  0.389111  1
  S  S72  1  0.500007  0.416617  0.389138  1
  S  S73  1  0.583333  0.541618  0.389190  1
  S  S74  1  0.666690  0.666634  0.389203  1
  S  S75  1  0.749989  0.791710  0.389273  1
  S  S76  1  0.833425  0.916643  0.389399  1
  S  S77  1  0.416724  0.041714  0.389109  1
  S  S78  1  0.500020  0.166699  0.389143  1
  S  S79  1  0.583333  0.291656  0.389188  1
  S  S80  1  0.666659  0.416617  0.389138  1
  S  S81  1  0.749979  0.541631  0.389194  1
  S  S82  1  0.833350  0.666665  0.389630  1
  S  S83  1  0.916881  0.791573  0.390008  1
  S  S84  1  0.000127  0.916649  0.389881  1
  S  S85  1  0.583333  0.041719  0.389141  1
  S  S86  1  0.666647  0.166699  0.389143  1
  S  S87  1  0.749968  0.291653  0.389111  1
  S  S88  1  0.833312  0.416623  0.389179  1
  S  S89  1  0.916699  0.541601  0.389319  1
  S  S90  1  -0.000005  0.666770  0.389876  1
  S  S91  1  0.749942  0.041714  0.389109  1
  S  S92  1  0.833295  0.166705  0.389173  1
  S  S93  1  0.916651  0.291644  0.389135  1
  S  S94  1  0.000012  0.416604  0.389101  1
  S  S95  1  0.916621  0.041675  0.389336  1
  S  S96  1  0.000000  0.166675  0.389213  1
  S  S97  1  0.083333  0.791709  0.610595  1
  S  S98  1  0.166971  0.916885  0.611372  1
  S  S99  1  0.083333  0.541492  0.610893  1
  S  S100  1  0.166793  0.666303  0.611466  1
  S  S101  1  0.250300  0.791756  0.611320  1
  S  S102  1  0.333518  0.916776  0.610918  1
  S  S103  1  0.083333  0.291680  0.610739  1
  S  S104  1  0.166674  0.416540  0.610863  1
  S  S105  1  0.250033  0.541319  0.611012  1
  S  S106  1  0.333546  0.666552  0.611007  1
  S  S107  1  0.416984  0.791808  0.611008  1
  S  S108  1  0.500075  0.916760  0.610836  1
  S  S109  1  0.083333  0.041904  0.611058  1
  S  S110  1  0.166731  0.166756  0.610872  1
  S  S111  1  0.250021  0.291651  0.610774  1
  S  S112  1  0.333361  0.416584  0.610751  1
  S  S113  1  0.416732  0.541553  0.610876  1
  S  S114  1  0.500073  0.666655  0.610834  1
  S  S115  1  0.583333  0.791725  0.610746  1
  S  S116  1  0.666592  0.916760  0.610836  1
  S  S117  1  0.250298  0.041863  0.611000  1
  S  S118  1  0.333406  0.166737  0.610766  1
  S  S119  1  0.416692  0.291659  0.610809  1
  S  S120  1  0.500006  0.416608  0.610790  1
  S  S121  1  0.583333  0.541617  0.610744  1
  S  S122  1  0.666594  0.666655  0.610834  1
  S  S123  1  0.749682  0.791808  0.611008  1
  S  S124  1  0.833149  0.916776  0.610918  1
  S  S125  1  0.416785  0.041745  0.610858  1
  S  S126  1  0.500026  0.166693  0.610797  1
  S  S127  1  0.583333  0.291657  0.610767  1
  S  S128  1  0.666661  0.416608  0.610790  1
  S  S129  1  0.749935  0.541553  0.610876  1
  S  S130  1  0.833120  0.666552  0.611007  1
  S  S131  1  0.916366  0.791756  0.611320  1
  S  S132  1  -0.000304  0.916885  0.611372  1
  S  S133  1  0.583333  0.041713  0.610735  1
  S  S134  1  0.666641  0.166694  0.610797  1
  S  S135  1  0.749975  0.291659  0.610810  1
  S  S136  1  0.833305  0.416584  0.610751  1
  S  S137  1  0.916634  0.541319  0.611012  1
  S  S138  1  -0.000127  0.666303  0.611466  1
  S  S139  1  0.749881  0.041745  0.610858  1
  S  S140  1  0.833260  0.166737  0.610766  1
  S  S141  1  0.916646  0.291651  0.610774  1
  S  S142  1  -0.000007  0.416540  0.610863  1
  S  S143  1  0.916369  0.041863  0.611000  1
  S  S144  1  -0.000064  0.166756  0.610872  1
