# 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  0.749836  0.500000  1
  W  W2  1  0.085674  0.877288  0.499999  1
  W  W3  1  0.000000  0.498154  0.499998  1
  W  W4  1  0.084433  0.622031  0.499999  1
  W  W5  1  0.170011  0.750667  0.499999  1
  W  W6  1  0.251505  0.875958  0.499998  1
  W  W7  1  0.000000  0.249064  0.499999  1
  W  W8  1  0.083371  0.373711  0.499998  1
  W  W9  1  0.166339  0.498703  0.499998  1
  W  W10  1  0.249777  0.625151  0.499998  1
  W  W11  1  0.334148  0.750981  0.499999  1
  W  W12  1  0.417240  0.875846  0.499999  1
  W  W13  1  -0.000000  -0.000357  0.499999  1
  W  W14  1  0.083545  0.124577  0.499999  1
  W  W15  1  0.166835  0.249349  0.499999  1
  W  W16  1  0.250130  0.374431  0.499999  1
  W  W17  1  0.333273  0.499935  0.499999  1
  W  W18  1  0.416713  0.625329  0.499999  1
  W  W19  1  0.500000  0.750555  0.499999  1
  W  W20  1  0.582760  0.875846  0.500000  1
  W  W21  1  0.168010  0.000278  0.499999  1
  W  W22  1  0.250476  0.125170  0.499999  1
  W  W23  1  0.333539  0.250000  0.500000  1
  W  W24  1  0.416673  0.375105  0.499999  1
  W  W25  1  0.500000  0.500237  0.500000  1
  W  W26  1  0.583287  0.625329  0.500000  1
  W  W27  1  0.665852  0.750981  0.500000  1
  W  W28  1  0.748495  0.875958  0.500000  1
  W  W29  1  0.334162  0.000714  0.499999  1
  W  W30  1  0.416941  0.125502  0.500000  1
  W  W31  1  0.500000  0.250270  0.500000  1
  W  W32  1  0.583327  0.375105  0.500000  1
  W  W33  1  0.666727  0.499935  0.500000  1
  W  W34  1  0.750223  0.625151  0.500000  1
  W  W35  1  0.829990  0.750667  0.500000  1
  W  W36  1  0.914326  0.877288  0.500000  1
  W  W37  1  0.500000  0.000713  0.500000  1
  W  W38  1  0.583059  0.125502  0.500000  1
  W  W39  1  0.666461  0.250000  0.500000  1
  W  W40  1  0.749870  0.374431  0.499999  1
  W  W41  1  0.833661  0.498703  0.499999  1
  W  W42  1  0.915567  0.622031  0.499999  1
  W  W43  1  0.665838  0.000715  0.500000  1
  W  W44  1  0.749524  0.125169  0.500001  1
  W  W45  1  0.833165  0.249349  0.500000  1
  W  W46  1  0.916629  0.373711  0.499999  1
  W  W47  1  0.831990  0.000278  0.500000  1
  W  W48  1  0.916455  0.124577  0.500000  1
  S  S49  1  0.088383  0.794267  0.386915  1
  S  S50  1  0.168491  0.917584  0.388558  1
  S  S51  1  0.083291  0.539677  0.388680  1
  S  S52  1  0.166244  0.666891  0.390167  1
  S  S53  1  0.251700  0.792738  0.388619  1
  S  S54  1  0.334354  0.917559  0.388953  1
  S  S55  1  0.083387  0.290617  0.389204  1
  S  S56  1  0.166649  0.415646  0.389258  1
  S  S57  1  0.249733  0.541529  0.389573  1
  S  S58  1  0.333289  0.667048  0.389528  1
  S  S59  1  0.417106  0.792397  0.389166  1
  S  S60  1  0.500000  0.917518  0.389011  1
  S  S61  1  0.083607  0.041279  0.389437  1
  S  S62  1  0.166838  0.166212  0.389224  1
  S  S63  1  0.250093  0.291244  0.389248  1
  S  S64  1  0.333270  0.416623  0.389349  1
  S  S65  1  0.416562  0.541914  0.389443  1
  S  S66  1  0.500000  0.667052  0.389362  1
  S  S67  1  0.582893  0.792397  0.389165  1
  S  S68  1  0.665646  0.917559  0.388953  1
  S  S69  1  0.250781  0.042075  0.389118  1
  S  S70  1  0.333610  0.166886  0.389167  1
  S  S71  1  0.416715  0.291872  0.389257  1
  S  S72  1  0.500000  0.416883  0.389360  1
  S  S73  1  0.583438  0.541914  0.389443  1
  S  S74  1  0.666711  0.667048  0.389527  1
  S  S75  1  0.748300  0.792738  0.388618  1
  S  S76  1  0.831509  0.917584  0.388557  1
  S  S77  1  0.417023  0.042374  0.389054  1
  S  S78  1  0.500000  0.167145  0.389108  1
  S  S79  1  0.583285  0.291872  0.389257  1
  S  S80  1  0.666730  0.416623  0.389348  1
  S  S81  1  0.750267  0.541529  0.389572  1
  S  S82  1  0.833756  0.666891  0.390167  1
  S  S83  1  0.911618  0.794267  0.386914  1
  S  S84  1  0.000000  0.916191  0.390132  1
  S  S85  1  0.582977  0.042374  0.389054  1
  S  S86  1  0.666390  0.166886  0.389167  1
  S  S87  1  0.749907  0.291243  0.389247  1
  S  S88  1  0.833351  0.415646  0.389258  1
  S  S89  1  0.916710  0.539677  0.388680  1
  S  S90  1  0.000000  0.661455  0.386929  1
  S  S91  1  0.749219  0.042075  0.389118  1
  S  S92  1  0.833162  0.166211  0.389224  1
  S  S93  1  0.916613  0.290617  0.389204  1
  S  S94  1  0.000000  0.415081  0.389088  1
  S  S95  1  0.916393  0.041279  0.389436  1
  S  S96  1  -0.000000  0.165865  0.389308  1
  S  S97  1  0.088382  0.794267  0.613086  1
  S  S98  1  0.168491  0.917584  0.611444  1
  S  S99  1  0.083290  0.539677  0.611321  1
  S  S100  1  0.166244  0.666891  0.609834  1
  S  S101  1  0.251700  0.792738  0.611382  1
  S  S102  1  0.334354  0.917559  0.611048  1
  S  S103  1  0.083387  0.290617  0.610797  1
  S  S104  1  0.166648  0.415646  0.610742  1
  S  S105  1  0.249733  0.541529  0.610429  1
  S  S106  1  0.333289  0.667048  0.610474  1
  S  S107  1  0.417107  0.792397  0.610835  1
  S  S108  1  0.500000  0.917518  0.610989  1
  S  S109  1  0.083607  0.041279  0.610564  1
  S  S110  1  0.166838  0.166212  0.610776  1
  S  S111  1  0.250093  0.291243  0.610753  1
  S  S112  1  0.333270  0.416623  0.610653  1
  S  S113  1  0.416563  0.541914  0.610558  1
  S  S114  1  0.500000  0.667052  0.610639  1
  S  S115  1  0.582894  0.792397  0.610835  1
  S  S116  1  0.665646  0.917559  0.611048  1
  S  S117  1  0.250781  0.042075  0.610882  1
  S  S118  1  0.333610  0.166886  0.610833  1
  S  S119  1  0.416715  0.291872  0.610743  1
  S  S120  1  0.500000  0.416883  0.610640  1
  S  S121  1  0.583438  0.541914  0.610557  1
  S  S122  1  0.666711  0.667048  0.610473  1
  S  S123  1  0.748300  0.792738  0.611382  1
  S  S124  1  0.831509  0.917584  0.611443  1
  S  S125  1  0.417023  0.042374  0.610946  1
  S  S126  1  0.500000  0.167145  0.610892  1
  S  S127  1  0.583285  0.291872  0.610743  1
  S  S128  1  0.666730  0.416623  0.610652  1
  S  S129  1  0.750267  0.541529  0.610428  1
  S  S130  1  0.833756  0.666891  0.609834  1
  S  S131  1  0.911618  0.794267  0.613086  1
  S  S132  1  -0.000000  0.916191  0.609869  1
  S  S133  1  0.582977  0.042374  0.610946  1
  S  S134  1  0.666389  0.166886  0.610833  1
  S  S135  1  0.749907  0.291243  0.610753  1
  S  S136  1  0.833351  0.415646  0.610743  1
  S  S137  1  0.916709  0.539677  0.611321  1
  S  S138  1  0.000000  0.661455  0.613072  1
  S  S139  1  0.749219  0.042075  0.610882  1
  S  S140  1  0.833162  0.166212  0.610776  1
  S  S141  1  0.916613  0.290617  0.610797  1
  S  S142  1  -0.000000  0.415081  0.610913  1
  S  S143  1  0.916393  0.041279  0.610564  1
  S  S144  1  -0.000000  0.165865  0.610693  1
