# 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  0.791652  0.378648  1
  W  W2  1  -0.002186  0.748885  0.502560  1
  W  W3  1  0.083333  0.877222  0.502525  1
  W  W4  1  -0.000216  0.499972  0.499863  1
  W  W5  1  0.083333  0.625807  0.500333  1
  W  W6  1  0.168853  0.748885  0.502560  1
  W  W7  1  0.249193  0.874595  0.500330  1
  W  W8  1  -0.000026  0.250149  0.500033  1
  W  W9  1  0.083333  0.375142  0.500018  1
  W  W10  1  0.166882  0.499972  0.499863  1
  W  W11  1  0.250200  0.624744  0.499861  1
  W  W12  1  0.333680  0.749954  0.499892  1
  W  W13  1  0.416841  0.874834  0.499873  1
  W  W14  1  -0.000157  0.000298  0.499867  1
  W  W15  1  0.083333  0.125338  0.499930  1
  W  W16  1  0.166692  0.250149  0.500033  1
  W  W17  1  0.250004  0.375058  0.499986  1
  W  W18  1  0.333468  0.499951  0.499867  1
  W  W19  1  0.416939  0.624814  0.499937  1
  W  W20  1  0.500047  0.749870  0.499860  1
  W  W21  1  0.583333  0.874947  0.499966  1
  W  W22  1  0.166823  0.000298  0.499867  1
  W  W23  1  0.249987  0.125163  0.499874  1
  W  W24  1  0.333347  0.250102  0.499998  1
  W  W25  1  0.416728  0.374975  0.499998  1
  W  W26  1  0.500045  0.499915  0.500025  1
  W  W27  1  0.583333  0.624893  0.500027  1
  W  W28  1  0.666620  0.749870  0.499860  1
  W  W29  1  0.749825  0.874835  0.499873  1
  W  W30  1  0.333284  0.000184  0.499867  1
  W  W31  1  0.416676  0.125002  0.499983  1
  W  W32  1  0.499989  0.249993  0.500000  1
  W  W33  1  0.583333  0.374985  0.500007  1
  W  W34  1  0.666621  0.499915  0.500025  1
  W  W35  1  0.749727  0.624814  0.499937  1
  W  W36  1  0.832986  0.749954  0.499892  1
  W  W37  1  0.917474  0.874595  0.500330  1
  W  W38  1  0.499947  -0.000069  0.500021  1
  W  W39  1  0.583333  0.124994  0.500023  1
  W  W40  1  0.666677  0.249993  0.500000  1
  W  W41  1  0.749938  0.374975  0.499998  1
  W  W42  1  0.833198  0.499951  0.499867  1
  W  W43  1  0.916467  0.624744  0.499861  1
  W  W44  1  0.666719  -0.000069  0.500021  1
  W  W45  1  0.749991  0.125002  0.499983  1
  W  W46  1  0.833320  0.250102  0.499998  1
  W  W47  1  0.916662  0.375058  0.499986  1
  W  W48  1  0.833383  0.000184  0.499867  1
  W  W49  1  0.916680  0.125163  0.499874  1
  S  S50  1  0.166849  0.916508  0.389060  1
  S  S51  1  0.083333  0.542037  0.389697  1
  S  S52  1  0.166399  0.666616  0.389072  1
  S  S53  1  0.249911  0.791872  0.389085  1
  S  S54  1  0.332970  0.916475  0.389714  1
  S  S55  1  0.083333  0.291791  0.389291  1
  S  S56  1  0.166647  0.416656  0.389132  1
  S  S57  1  0.250150  0.541454  0.388983  1
  S  S58  1  0.333751  0.666443  0.389220  1
  S  S59  1  0.416914  0.791640  0.388992  1
  S  S60  1  0.500023  0.916686  0.389139  1
  S  S61  1  0.083333  0.042114  0.389210  1
  S  S62  1  0.166677  0.166907  0.389155  1
  S  S63  1  0.250022  0.291739  0.389215  1
  S  S64  1  0.333405  0.416586  0.389202  1
  S  S65  1  0.416840  0.541533  0.389128  1
  S  S66  1  0.500138  0.666525  0.389129  1
  S  S67  1  0.583333  0.791612  0.389180  1
  S  S68  1  0.666644  0.916686  0.389139  1
  S  S69  1  0.250146  0.041905  0.388999  1
  S  S70  1  0.333403  0.166783  0.389219  1
  S  S71  1  0.416698  0.291676  0.389214  1
  S  S72  1  0.500035  0.416616  0.389209  1
  S  S73  1  0.583333  0.541573  0.389240  1
  S  S74  1  0.666529  0.666525  0.389129  1
  S  S75  1  0.749753  0.791641  0.388992  1
  S  S76  1  0.833696  0.916475  0.389714  1
  S  S77  1  0.416734  0.041669  0.389161  1
  S  S78  1  0.500018  0.166668  0.389240  1
  S  S79  1  0.583333  0.291652  0.389253  1
  S  S80  1  0.666632  0.416616  0.389209  1
  S  S81  1  0.749827  0.541533  0.389128  1
  S  S82  1  0.832916  0.666443  0.389220  1
  S  S83  1  0.916756  0.791872  0.389085  1
  S  S84  1  -0.000183  0.916508  0.389060  1
  S  S85  1  0.583333  0.041629  0.389330  1
  S  S86  1  0.666648  0.166668  0.389240  1
  S  S87  1  0.749969  0.291676  0.389214  1
  S  S88  1  0.833261  0.416586  0.389202  1
  S  S89  1  0.916516  0.541454  0.388983  1
  S  S90  1  0.000267  0.666616  0.389072  1
  S  S91  1  0.749933  0.041669  0.389161  1
  S  S92  1  0.833263  0.166783  0.389219  1
  S  S93  1  0.916645  0.291739  0.389215  1
  S  S94  1  0.000020  0.416656  0.389132  1
  S  S95  1  0.916521  0.041905  0.388999  1
  S  S96  1  -0.000010  0.166907  0.389155  1
  S  S97  1  0.083333  0.791675  0.609193  1
  S  S98  1  0.167299  0.917543  0.612557  1
  S  S99  1  0.083333  0.541770  0.610227  1
  S  S100  1  0.167217  0.665744  0.612567  1
  S  S101  1  0.251163  0.791693  0.612556  1
  S  S102  1  0.333241  0.916609  0.610231  1
  S  S103  1  0.083333  0.291797  0.610794  1
  S  S104  1  0.166712  0.416742  0.610773  1
  S  S105  1  0.250205  0.541499  0.610688  1
  S  S106  1  0.333559  0.666527  0.610504  1
  S  S107  1  0.416914  0.791573  0.610710  1
  S  S108  1  0.500009  0.916590  0.610775  1
  S  S109  1  0.083333  0.041915  0.610488  1
  S  S110  1  0.166687  0.166824  0.610787  1
  S  S111  1  0.250030  0.291760  0.610818  1
  S  S112  1  0.333399  0.416654  0.610717  1
  S  S113  1  0.416759  0.541568  0.610808  1
  S  S114  1  0.500073  0.666579  0.610806  1
  S  S115  1  0.583333  0.791566  0.610650  1
  S  S116  1  0.666658  0.916590  0.610775  1
  S  S117  1  0.250080  0.041922  0.610679  1
  S  S118  1  0.333343  0.166747  0.610701  1
  S  S119  1  0.416695  0.291676  0.610810  1
  S  S120  1  0.500025  0.416609  0.610824  1
  S  S121  1  0.583333  0.541575  0.610837  1
  S  S122  1  0.666594  0.666579  0.610806  1
  S  S123  1  0.749752  0.791573  0.610710  1
  S  S124  1  0.833426  0.916609  0.610231  1
  S  S125  1  0.416625  0.041670  0.610753  1
  S  S126  1  0.499999  0.166662  0.610784  1
  S  S127  1  0.583333  0.291649  0.610771  1
  S  S128  1  0.666641  0.416609  0.610824  1
  S  S129  1  0.749907  0.541568  0.610808  1
  S  S130  1  0.833108  0.666527  0.610504  1
  S  S131  1  0.915504  0.791693  0.612556  1
  S  S132  1  -0.000633  0.917543  0.612557  1
  S  S133  1  0.583333  0.041625  0.610739  1
  S  S134  1  0.666668  0.166662  0.610784  1
  S  S135  1  0.749972  0.291676  0.610810  1
  S  S136  1  0.833267  0.416654  0.610717  1
  S  S137  1  0.916461  0.541499  0.610688  1
  S  S138  1  -0.000550  0.665744  0.612567  1
  S  S139  1  0.750042  0.041670  0.610753  1
  S  S140  1  0.833324  0.166747  0.610701  1
  S  S141  1  0.916637  0.291760  0.610818  1
  S  S142  1  -0.000046  0.416742  0.610773  1
  S  S143  1  0.916587  0.041922  0.610679  1
  S  S144  1  -0.000020  0.166824  0.610787  1
