# 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  0.749878  0.500000  1
  W  W2  1  0.086822  0.878134  0.500000  1
  W  W3  1  0.000000  0.497678  0.500000  1
  W  W4  1  0.084679  0.620758  0.500000  1
  W  W5  1  0.171387  0.751084  0.500000  1
  W  W6  1  0.252008  0.876221  0.500000  1
  W  W7  1  -0.000000  0.249358  0.500000  1
  W  W8  1  0.083620  0.373696  0.500000  1
  W  W9  1  0.167083  0.498096  0.500000  1
  W  W10  1  0.250147  0.624849  0.500000  1
  W  W11  1  0.334955  0.750642  0.500000  1
  W  W12  1  0.417423  0.875648  0.500000  1
  W  W13  1  0.000000  0.000155  0.500000  1
  W  W14  1  0.083532  0.124987  0.500000  1
  W  W15  1  0.166955  0.249556  0.500000  1
  W  W16  1  0.250387  0.374287  0.500000  1
  W  W17  1  0.333520  0.499712  0.500001  1
  W  W18  1  0.416808  0.624966  0.500000  1
  W  W19  1  0.500000  0.750294  0.500000  1
  W  W20  1  0.582577  0.875648  0.500000  1
  W  W21  1  0.168276  0.001210  0.500000  1
  W  W22  1  0.250624  0.125485  0.500000  1
  W  W23  1  0.333696  0.250045  0.500000  1
  W  W24  1  0.416802  0.374950  0.500000  1
  W  W25  1  0.500000  0.499930  0.500001  1
  W  W26  1  0.583192  0.624966  0.500000  1
  W  W27  1  0.665045  0.750642  0.500000  1
  W  W28  1  0.747992  0.876221  0.500000  1
  W  W29  1  0.334210  0.000972  0.500000  1
  W  W30  1  0.416981  0.125531  0.500000  1
  W  W31  1  0.500000  0.250258  0.500000  1
  W  W32  1  0.583198  0.374950  0.500000  1
  W  W33  1  0.666480  0.499712  0.500000  1
  W  W34  1  0.749853  0.624849  0.500000  1
  W  W35  1  0.828613  0.751084  0.500000  1
  W  W36  1  0.913178  0.878134  0.500000  1
  W  W37  1  0.500000  0.000703  0.500000  1
  W  W38  1  0.583019  0.125531  0.500000  1
  W  W39  1  0.666304  0.250045  0.500000  1
  W  W40  1  0.749613  0.374287  0.500000  1
  W  W41  1  0.832917  0.498096  0.500000  1
  W  W42  1  0.915321  0.620758  0.500000  1
  W  W43  1  0.665790  0.000972  0.500000  1
  W  W44  1  0.749376  0.125485  0.500000  1
  W  W45  1  0.833045  0.249556  0.500000  1
  W  W46  1  0.916380  0.373696  0.500000  1
  W  W47  1  0.831724  0.001210  0.500000  1
  W  W48  1  0.916468  0.124987  0.500000  1
  S  S49  1  0.088517  0.794348  0.391873  1
  S  S50  1  0.169479  0.918745  0.388574  1
  S  S51  1  0.083904  0.538400  0.388661  1
  S  S52  1  0.166628  0.666647  0.390322  1
  S  S53  1  0.253180  0.792932  0.388562  1
  S  S54  1  0.334717  0.917733  0.389052  1
  S  S55  1  0.083473  0.290743  0.389111  1
  S  S56  1  0.167069  0.415232  0.389027  1
  S  S57  1  0.250138  0.541214  0.389476  1
  S  S58  1  0.333642  0.666747  0.389446  1
  S  S59  1  0.417532  0.792223  0.388938  1
  S  S60  1  0.500000  0.917470  0.388931  1
  S  S61  1  0.083660  0.041829  0.389407  1
  S  S62  1  0.166914  0.166522  0.389154  1
  S  S63  1  0.250312  0.291218  0.389129  1
  S  S64  1  0.333506  0.416432  0.389230  1
  S  S65  1  0.416711  0.541587  0.389293  1
  S  S66  1  0.500000  0.666709  0.389289  1
  S  S67  1  0.582468  0.792223  0.388938  1
  S  S68  1  0.665283  0.917733  0.389052  1
  S  S69  1  0.251088  0.042641  0.388926  1
  S  S70  1  0.333772  0.167028  0.389058  1
  S  S71  1  0.416821  0.291804  0.389116  1
  S  S72  1  0.500000  0.416670  0.389206  1
  S  S73  1  0.583289  0.541587  0.389293  1
  S  S74  1  0.666358  0.666747  0.389446  1
  S  S75  1  0.746820  0.792932  0.388562  1
  S  S76  1  0.830521  0.918745  0.388574  1
  S  S77  1  0.417118  0.042441  0.388976  1
  S  S78  1  0.500000  0.167157  0.389034  1
  S  S79  1  0.583179  0.291804  0.389116  1
  S  S80  1  0.666494  0.416432  0.389230  1
  S  S81  1  0.749862  0.541214  0.389476  1
  S  S82  1  0.833372  0.666647  0.390322  1
  S  S83  1  0.911483  0.794348  0.391873  1
  S  S84  1  0.000000  0.916648  0.390310  1
  S  S85  1  0.582882  0.042441  0.388976  1
  S  S86  1  0.666228  0.167028  0.389058  1
  S  S87  1  0.749688  0.291218  0.389129  1
  S  S88  1  0.832931  0.415232  0.389027  1
  S  S89  1  0.916096  0.538400  0.388661  1
  S  S90  1  0.000000  0.661372  0.391906  1
  S  S91  1  0.748912  0.042641  0.388926  1
  S  S92  1  0.833086  0.166522  0.389154  1
  S  S93  1  0.916527  0.290743  0.389111  1
  S  S94  1  0.000000  0.414811  0.389138  1
  S  S95  1  0.916340  0.041829  0.389407  1
  S  S96  1  0.000000  0.166284  0.389209  1
  S  S97  1  0.088517  0.794348  0.608127  1
  S  S98  1  0.169479  0.918745  0.611426  1
  S  S99  1  0.083904  0.538400  0.611339  1
  S  S100  1  0.166628  0.666647  0.609678  1
  S  S101  1  0.253180  0.792932  0.611438  1
  S  S102  1  0.334717  0.917733  0.610948  1
  S  S103  1  0.083473  0.290743  0.610889  1
  S  S104  1  0.167069  0.415232  0.610973  1
  S  S105  1  0.250138  0.541214  0.610524  1
  S  S106  1  0.333642  0.666747  0.610554  1
  S  S107  1  0.417532  0.792223  0.611062  1
  S  S108  1  0.500000  0.917470  0.611069  1
  S  S109  1  0.083660  0.041829  0.610593  1
  S  S110  1  0.166914  0.166522  0.610846  1
  S  S111  1  0.250312  0.291218  0.610871  1
  S  S112  1  0.333506  0.416432  0.610769  1
  S  S113  1  0.416711  0.541587  0.610707  1
  S  S114  1  0.500000  0.666709  0.610710  1
  S  S115  1  0.582468  0.792223  0.611062  1
  S  S116  1  0.665283  0.917733  0.610948  1
  S  S117  1  0.251088  0.042641  0.611074  1
  S  S118  1  0.333772  0.167028  0.610942  1
  S  S119  1  0.416821  0.291804  0.610883  1
  S  S120  1  0.500000  0.416670  0.610794  1
  S  S121  1  0.583289  0.541587  0.610707  1
  S  S122  1  0.666358  0.666747  0.610554  1
  S  S123  1  0.746820  0.792932  0.611438  1
  S  S124  1  0.830521  0.918745  0.611426  1
  S  S125  1  0.417118  0.042441  0.611024  1
  S  S126  1  0.500000  0.167157  0.610966  1
  S  S127  1  0.583179  0.291804  0.610883  1
  S  S128  1  0.666494  0.416432  0.610769  1
  S  S129  1  0.749862  0.541214  0.610524  1
  S  S130  1  0.833372  0.666647  0.609678  1
  S  S131  1  0.911483  0.794348  0.608127  1
  S  S132  1  -0.000000  0.916648  0.609690  1
  S  S133  1  0.582882  0.042441  0.611024  1
  S  S134  1  0.666228  0.167028  0.610942  1
  S  S135  1  0.749688  0.291218  0.610871  1
  S  S136  1  0.832931  0.415232  0.610973  1
  S  S137  1  0.916096  0.538400  0.611339  1
  S  S138  1  0.000000  0.661372  0.608094  1
  S  S139  1  0.748912  0.042641  0.611074  1
  S  S140  1  0.833086  0.166522  0.610846  1
  S  S141  1  0.916527  0.290743  0.610889  1
  S  S142  1  0.000000  0.414811  0.610862  1
  S  S143  1  0.916340  0.041829  0.610593  1
  S  S144  1  -0.000000  0.166284  0.610791  1
