# 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  0.791707  0.370825  1
  W  W2  1  0.000647  0.750205  0.500735  1
  W  W3  1  0.083333  0.874484  0.500648  1
  W  W4  1  -0.000083  0.499764  0.500054  1
  W  W5  1  0.083333  0.625072  0.500574  1
  W  W6  1  0.166020  0.750205  0.500735  1
  W  W7  1  0.249991  0.875022  0.500554  1
  W  W8  1  -0.000045  0.250060  0.499975  1
  W  W9  1  0.083333  0.375051  0.499926  1
  W  W10  1  0.166750  0.499764  0.500054  1
  W  W11  1  0.250195  0.624722  0.500411  1
  W  W12  1  0.333715  0.749982  0.500407  1
  W  W13  1  0.416921  0.875045  0.500035  1
  W  W14  1  -0.000157  0.000304  0.500422  1
  W  W15  1  0.083333  0.125293  0.500177  1
  W  W16  1  0.166712  0.250060  0.499975  1
  W  W17  1  0.249948  0.374980  0.499969  1
  W  W18  1  0.333461  0.499881  0.500002  1
  W  W19  1  0.416907  0.624823  0.500170  1
  W  W20  1  0.500077  0.749957  0.499977  1
  W  W21  1  0.583333  0.875120  0.499959  1
  W  W22  1  0.166823  0.000304  0.500422  1
  W  W23  1  0.250061  0.125166  0.500011  1
  W  W24  1  0.333410  0.250097  0.499949  1
  W  W25  1  0.416760  0.374904  0.499960  1
  W  W26  1  0.499989  0.499887  0.499977  1
  W  W27  1  0.583333  0.624937  0.499973  1
  W  W28  1  0.666590  0.749957  0.499977  1
  W  W29  1  0.749746  0.875045  0.500035  1
  W  W30  1  0.333542  0.000191  0.500054  1
  W  W31  1  0.416768  0.125012  0.499977  1
  W  W32  1  0.499953  0.250005  0.499976  1
  W  W33  1  0.583333  0.374964  0.499985  1
  W  W34  1  0.666678  0.499887  0.499977  1
  W  W35  1  0.749760  0.624823  0.500170  1
  W  W36  1  0.832952  0.749982  0.500407  1
  W  W37  1  0.916675  0.875022  0.500554  1
  W  W38  1  0.499984  0.000037  0.499924  1
  W  W39  1  0.583333  0.125074  0.499974  1
  W  W40  1  0.666713  0.250005  0.499976  1
  W  W41  1  0.749907  0.374904  0.499960  1
  W  W42  1  0.833205  0.499881  0.500002  1
  W  W43  1  0.916472  0.624722  0.500411  1
  W  W44  1  0.666682  0.000037  0.499924  1
  W  W45  1  0.749899  0.125012  0.499977  1
  W  W46  1  0.833256  0.250097  0.499949  1
  W  W47  1  0.916718  0.374980  0.499969  1
  W  W48  1  0.833124  0.000191  0.500054  1
  W  W49  1  0.916605  0.125166  0.500011  1
  S  S50  1  0.166573  0.916728  0.390154  1
  S  S51  1  0.083333  0.541862  0.389610  1
  S  S52  1  0.166752  0.666715  0.390137  1
  S  S53  1  0.249933  0.791542  0.390217  1
  S  S54  1  0.333175  0.916588  0.389580  1
  S  S55  1  0.083333  0.291724  0.389244  1
  S  S56  1  0.166652  0.416572  0.389105  1
  S  S57  1  0.250034  0.541493  0.389367  1
  S  S58  1  0.333453  0.666588  0.389677  1
  S  S59  1  0.416809  0.791720  0.389316  1
  S  S60  1  0.500052  0.916775  0.389118  1
  S  S61  1  0.083333  0.041822  0.389693  1
  S  S62  1  0.166658  0.166764  0.389248  1
  S  S63  1  0.250050  0.291667  0.389191  1
  S  S64  1  0.333396  0.416584  0.389249  1
  S  S65  1  0.416756  0.541594  0.389220  1
  S  S66  1  0.500025  0.666582  0.389230  1
  S  S67  1  0.583333  0.791668  0.389223  1
  S  S68  1  0.666615  0.916775  0.389117  1
  S  S69  1  0.250149  0.041780  0.389388  1
  S  S70  1  0.333408  0.166751  0.389250  1
  S  S71  1  0.416705  0.291665  0.389134  1
  S  S72  1  0.500034  0.416582  0.389182  1
  S  S73  1  0.583333  0.541564  0.389256  1
  S  S74  1  0.666642  0.666582  0.389230  1
  S  S75  1  0.749857  0.791720  0.389316  1
  S  S76  1  0.833492  0.916588  0.389580  1
  S  S77  1  0.416778  0.041749  0.389125  1
  S  S78  1  0.500048  0.166718  0.389203  1
  S  S79  1  0.583333  0.291632  0.389266  1
  S  S80  1  0.666633  0.416582  0.389182  1
  S  S81  1  0.749911  0.541593  0.389220  1
  S  S82  1  0.833213  0.666588  0.389677  1
  S  S83  1  0.916733  0.791542  0.390217  1
  S  S84  1  0.000094  0.916728  0.390154  1
  S  S85  1  0.583333  0.041705  0.389236  1
  S  S86  1  0.666619  0.166718  0.389203  1
  S  S87  1  0.749961  0.291665  0.389134  1
  S  S88  1  0.833271  0.416584  0.389249  1
  S  S89  1  0.916633  0.541493  0.389367  1
  S  S90  1  -0.000085  0.666715  0.390137  1
  S  S91  1  0.749889  0.041749  0.389125  1
  S  S92  1  0.833259  0.166751  0.389250  1
  S  S93  1  0.916617  0.291667  0.389191  1
  S  S94  1  0.000015  0.416572  0.389105  1
  S  S95  1  0.916518  0.041780  0.389388  1
  S  S96  1  0.000008  0.166764  0.389248  1
  S  S97  1  0.083333  0.791696  0.610936  1
  S  S98  1  0.166819  0.916991  0.611242  1
  S  S99  1  0.083333  0.541504  0.610759  1
  S  S100  1  0.166945  0.666381  0.611303  1
  S  S101  1  0.250354  0.791594  0.611212  1
  S  S102  1  0.333519  0.916760  0.610775  1
  S  S103  1  0.083333  0.291729  0.610682  1
  S  S104  1  0.166680  0.416539  0.610837  1
  S  S105  1  0.250063  0.541242  0.610875  1
  S  S106  1  0.333662  0.666484  0.610877  1
  S  S107  1  0.417070  0.791832  0.610900  1
  S  S108  1  0.500101  0.916774  0.610807  1
  S  S109  1  0.083333  0.042025  0.610899  1
  S  S110  1  0.166743  0.166836  0.610852  1
  S  S111  1  0.250049  0.291677  0.610750  1
  S  S112  1  0.333396  0.416558  0.610690  1
  S  S113  1  0.416781  0.541502  0.610868  1
  S  S114  1  0.500121  0.666609  0.610831  1
  S  S115  1  0.583333  0.791691  0.610672  1
  S  S116  1  0.666566  0.916774  0.610808  1
  S  S117  1  0.250392  0.041926  0.610863  1
  S  S118  1  0.333430  0.166769  0.610690  1
  S  S119  1  0.416703  0.291668  0.610814  1
  S  S120  1  0.500036  0.416576  0.610776  1
  S  S121  1  0.583333  0.541563  0.610707  1
  S  S122  1  0.666545  0.666609  0.610831  1
  S  S123  1  0.749597  0.791832  0.610900  1
  S  S124  1  0.833147  0.916760  0.610775  1
  S  S125  1  0.416803  0.041774  0.610827  1
  S  S126  1  0.500056  0.166714  0.610776  1
  S  S127  1  0.583333  0.291632  0.610720  1
  S  S128  1  0.666631  0.416576  0.610776  1
  S  S129  1  0.749886  0.541502  0.610868  1
  S  S130  1  0.833005  0.666484  0.610877  1
  S  S131  1  0.916312  0.791594  0.611212  1
  S  S132  1  -0.000152  0.916991  0.611242  1
  S  S133  1  0.583333  0.041700  0.610660  1
  S  S134  1  0.666611  0.166714  0.610776  1
  S  S135  1  0.749964  0.291668  0.610814  1
  S  S136  1  0.833270  0.416558  0.610690  1
  S  S137  1  0.916604  0.541242  0.610875  1
  S  S138  1  -0.000278  0.666381  0.611303  1
  S  S139  1  0.749864  0.041774  0.610827  1
  S  S140  1  0.833236  0.166769  0.610690  1
  S  S141  1  0.916618  0.291677  0.610750  1
  S  S142  1  -0.000014  0.416539  0.610837  1
  S  S143  1  0.916274  0.041926  0.610863  1
  S  S144  1  -0.000076  0.166836  0.610852  1
