# generated using pymatgen
data_AlW48S95
_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   AlW48S95
_chemical_formula_sum   'Al1 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
  Al  Al1  1  0.083333  0.791667  0.376840  1
  W  W2  1  -0.001632  0.749139  0.502754  1
  W  W3  1  0.083333  0.876691  0.502692  1
  W  W4  1  -0.000225  0.499978  0.499850  1
  W  W5  1  0.083333  0.626064  0.500417  1
  W  W6  1  0.168298  0.749139  0.502754  1
  W  W7  1  0.248955  0.874476  0.500411  1
  W  W8  1  -0.000004  0.250150  0.500043  1
  W  W9  1  0.083333  0.375195  0.500024  1
  W  W10  1  0.166891  0.499978  0.499850  1
  W  W11  1  0.250239  0.624836  0.499755  1
  W  W12  1  0.333631  0.749893  0.499792  1
  W  W13  1  0.416860  0.874816  0.499860  1
  W  W14  1  -0.000054  0.000283  0.499763  1
  W  W15  1  0.083333  0.125403  0.499952  1
  W  W16  1  0.166670  0.250150  0.500043  1
  W  W17  1  0.249976  0.375098  0.500002  1
  W  W18  1  0.333473  0.499966  0.499856  1
  W  W19  1  0.417008  0.624789  0.499956  1
  W  W20  1  0.500038  0.749876  0.499856  1
  W  W21  1  0.583333  0.874943  0.499996  1
  W  W22  1  0.166720  0.000283  0.499763  1
  W  W23  1  0.249978  0.125155  0.499866  1
  W  W24  1  0.333337  0.250117  0.499998  1
  W  W25  1  0.416720  0.374968  0.500001  1
  W  W26  1  0.500046  0.499943  0.500035  1
  W  W27  1  0.583333  0.624888  0.500041  1
  W  W28  1  0.666629  0.749876  0.499856  1
  W  W29  1  0.749806  0.874816  0.499860  1
  W  W30  1  0.333275  0.000183  0.499859  1
  W  W31  1  0.416647  0.124942  0.499998  1
  W  W32  1  0.499972  0.249979  0.500002  1
  W  W33  1  0.583333  0.374997  0.500011  1
  W  W34  1  0.666621  0.499943  0.500035  1
  W  W35  1  0.749658  0.624789  0.499956  1
  W  W36  1  0.833036  0.749893  0.499792  1
  W  W37  1  0.917711  0.874476  0.500411  1
  W  W38  1  0.499912  -0.000113  0.500029  1
  W  W39  1  0.583333  0.124971  0.500032  1
  W  W40  1  0.666694  0.249979  0.500002  1
  W  W41  1  0.749947  0.374968  0.500001  1
  W  W42  1  0.833194  0.499966  0.499856  1
  W  W43  1  0.916428  0.624836  0.499755  1
  W  W44  1  0.666754  -0.000113  0.500029  1
  W  W45  1  0.750020  0.124942  0.499998  1
  W  W46  1  0.833329  0.250117  0.499998  1
  W  W47  1  0.916691  0.375098  0.500002  1
  W  W48  1  0.833392  0.000183  0.499859  1
  W  W49  1  0.916688  0.125155  0.499866  1
  S  S50  1  0.166754  0.916405  0.389164  1
  S  S51  1  0.083333  0.542237  0.389738  1
  S  S52  1  0.166339  0.666752  0.389170  1
  S  S53  1  0.249750  0.791850  0.389201  1
  S  S54  1  0.332804  0.916375  0.389743  1
  S  S55  1  0.083333  0.291825  0.389271  1
  S  S56  1  0.166618  0.416671  0.389075  1
  S  S57  1  0.250145  0.541453  0.388949  1
  S  S58  1  0.333837  0.666414  0.389122  1
  S  S59  1  0.416940  0.791651  0.388940  1
  S  S60  1  0.500023  0.916685  0.389086  1
  S  S61  1  0.083333  0.042193  0.389117  1
  S  S62  1  0.166678  0.166916  0.389123  1
  S  S63  1  0.250006  0.291753  0.389210  1
  S  S64  1  0.333395  0.416600  0.389184  1
  S  S65  1  0.416850  0.541536  0.389086  1
  S  S66  1  0.500160  0.666534  0.389090  1
  S  S67  1  0.583333  0.791611  0.389155  1
  S  S68  1  0.666644  0.916685  0.389086  1
  S  S69  1  0.250157  0.041898  0.388967  1
  S  S70  1  0.333396  0.166773  0.389208  1
  S  S71  1  0.416685  0.291677  0.389184  1
  S  S72  1  0.500027  0.416632  0.389200  1
  S  S73  1  0.583333  0.541589  0.389203  1
  S  S74  1  0.666507  0.666534  0.389090  1
  S  S75  1  0.749727  0.791651  0.388940  1
  S  S76  1  0.833862  0.916375  0.389743  1
  S  S77  1  0.416736  0.041619  0.389107  1
  S  S78  1  0.500001  0.166636  0.389241  1
  S  S79  1  0.583333  0.291646  0.389254  1
  S  S80  1  0.666639  0.416632  0.389200  1
  S  S81  1  0.749817  0.541536  0.389087  1
  S  S82  1  0.832829  0.666414  0.389122  1
  S  S83  1  0.916916  0.791850  0.389201  1
  S  S84  1  -0.000087  0.916405  0.389164  1
  S  S85  1  0.583333  0.041580  0.389332  1
  S  S86  1  0.666666  0.166636  0.389241  1
  S  S87  1  0.749982  0.291677  0.389184  1
  S  S88  1  0.833272  0.416600  0.389184  1
  S  S89  1  0.916522  0.541453  0.388949  1
  S  S90  1  0.000328  0.666752  0.389170  1
  S  S91  1  0.749931  0.041619  0.389107  1
  S  S92  1  0.833270  0.166773  0.389208  1
  S  S93  1  0.916661  0.291753  0.389210  1
  S  S94  1  0.000048  0.416671  0.389075  1
  S  S95  1  0.916510  0.041898  0.388967  1
  S  S96  1  -0.000012  0.166916  0.389123  1
  S  S97  1  0.083333  0.791679  0.610246  1
  S  S98  1  0.167066  0.917550  0.612584  1
  S  S99  1  0.083333  0.541853  0.610181  1
  S  S100  1  0.167350  0.665918  0.612608  1
  S  S101  1  0.251051  0.791511  0.612584  1
  S  S102  1  0.333169  0.916554  0.610185  1
  S  S103  1  0.083333  0.291823  0.610822  1
  S  S104  1  0.166704  0.416779  0.610840  1
  S  S105  1  0.250186  0.541540  0.610662  1
  S  S106  1  0.333614  0.666512  0.610479  1
  S  S107  1  0.416878  0.791573  0.610704  1
  S  S108  1  0.499994  0.916566  0.610846  1
  S  S109  1  0.083333  0.041959  0.610464  1
  S  S110  1  0.166693  0.166830  0.610846  1
  S  S111  1  0.250013  0.291771  0.610836  1
  S  S112  1  0.333386  0.416674  0.610740  1
  S  S113  1  0.416762  0.541572  0.610870  1
  S  S114  1  0.500087  0.666592  0.610869  1
  S  S115  1  0.583333  0.791561  0.610688  1
  S  S116  1  0.666672  0.916566  0.610846  1
  S  S117  1  0.250052  0.041883  0.610657  1
  S  S118  1  0.333325  0.166735  0.610716  1
  S  S119  1  0.416682  0.291676  0.610839  1
  S  S120  1  0.500019  0.416624  0.610838  1
  S  S121  1  0.583333  0.541589  0.610895  1
  S  S122  1  0.666580  0.666592  0.610869  1
  S  S123  1  0.749789  0.791573  0.610704  1
  S  S124  1  0.833498  0.916554  0.610185  1
  S  S125  1  0.416598  0.041626  0.610818  1
  S  S126  1  0.499989  0.166633  0.610796  1
  S  S127  1  0.583333  0.291641  0.610772  1
  S  S128  1  0.666648  0.416624  0.610838  1
  S  S129  1  0.749905  0.541572  0.610870  1
  S  S130  1  0.833052  0.666512  0.610480  1
  S  S131  1  0.915616  0.791511  0.612584  1
  S  S132  1  -0.000399  0.917550  0.612584  1
  S  S133  1  0.583333  0.041587  0.610746  1
  S  S134  1  0.666678  0.166633  0.610796  1
  S  S135  1  0.749984  0.291676  0.610839  1
  S  S136  1  0.833281  0.416674  0.610740  1
  S  S137  1  0.916481  0.541540  0.610662  1
  S  S138  1  -0.000684  0.665918  0.612608  1
  S  S139  1  0.750068  0.041626  0.610818  1
  S  S140  1  0.833342  0.166735  0.610716  1
  S  S141  1  0.916654  0.291771  0.610836  1
  S  S142  1  -0.000037  0.416779  0.610840  1
  S  S143  1  0.916615  0.041883  0.610657  1
  S  S144  1  -0.000026  0.166830  0.610846  1
