# 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  0.083334  0.795147  0.383289  1
  W  W2  1  -0.001126  0.746417  0.502323  1
  W  W3  1  0.083333  0.879910  0.501333  1
  W  W4  1  -0.000238  0.499323  0.500386  1
  W  W5  1  0.083333  0.624370  0.501296  1
  W  W6  1  0.167792  0.746417  0.502323  1
  W  W7  1  0.249220  0.875598  0.499628  1
  W  W8  1  -0.000120  0.250123  0.500060  1
  W  W9  1  0.083333  0.374768  0.500098  1
  W  W10  1  0.166905  0.499323  0.500386  1
  W  W11  1  0.249900  0.624166  0.500345  1
  W  W12  1  0.333170  0.750067  0.499653  1
  W  W13  1  0.416661  0.874912  0.499528  1
  W  W14  1  -0.000508  0.001085  0.500614  1
  W  W15  1  0.083333  0.125605  0.500342  1
  W  W16  1  0.166786  0.250123  0.500060  1
  W  W17  1  0.250159  0.374794  0.499979  1
  W  W18  1  0.333545  0.499702  0.499981  1
  W  W19  1  0.416695  0.624857  0.499795  1
  W  W20  1  0.499865  0.750002  0.499511  1
  W  W21  1  0.583333  0.874994  0.499671  1
  W  W22  1  0.167175  0.001085  0.500614  1
  W  W23  1  0.250257  0.125438  0.500111  1
  W  W24  1  0.333546  0.250101  0.499970  1
  W  W25  1  0.416843  0.374921  0.499933  1
  W  W26  1  0.500041  0.499961  0.499922  1
  W  W27  1  0.583333  0.625018  0.499762  1
  W  W28  1  0.666802  0.750002  0.499511  1
  W  W29  1  0.750006  0.874912  0.499528  1
  W  W30  1  0.333483  0.000350  0.499924  1
  W  W31  1  0.416834  0.125082  0.499994  1
  W  W32  1  0.500077  0.250011  0.499990  1
  W  W33  1  0.583333  0.375004  0.499982  1
  W  W34  1  0.666626  0.499961  0.499922  1
  W  W35  1  0.749972  0.624857  0.499795  1
  W  W36  1  0.833496  0.750067  0.499653  1
  W  W37  1  0.917447  0.875598  0.499628  1
  W  W38  1  0.500008  0.000005  0.499871  1
  W  W39  1  0.583333  0.125029  0.499981  1
  W  W40  1  0.666590  0.250012  0.499990  1
  W  W41  1  0.749824  0.374922  0.499933  1
  W  W42  1  0.833122  0.499702  0.499981  1
  W  W43  1  0.916766  0.624166  0.500345  1
  W  W44  1  0.666659  0.000005  0.499871  1
  W  W45  1  0.749833  0.125082  0.499994  1
  W  W46  1  0.833120  0.250101  0.499970  1
  W  W47  1  0.916508  0.374794  0.499979  1
  W  W48  1  0.833183  0.000350  0.499925  1
  W  W49  1  0.916410  0.125438  0.500111  1
  S  S50  1  0.167043  0.918277  0.388484  1
  S  S51  1  0.083333  0.541088  0.390230  1
  S  S52  1  0.165879  0.665203  0.389123  1
  S  S53  1  0.248210  0.791486  0.389548  1
  S  S54  1  0.333187  0.916842  0.389279  1
  S  S55  1  0.083333  0.291607  0.389268  1
  S  S56  1  0.166709  0.416316  0.389287  1
  S  S57  1  0.250024  0.541038  0.389380  1
  S  S58  1  0.333125  0.666357  0.389368  1
  S  S59  1  0.416423  0.791626  0.388678  1
  S  S60  1  0.500002  0.916721  0.388964  1
  S  S61  1  0.083333  0.042514  0.389853  1
  S  S62  1  0.166745  0.166928  0.389371  1
  S  S63  1  0.250143  0.291603  0.389166  1
  S  S64  1  0.333490  0.416460  0.389166  1
  S  S65  1  0.416714  0.541524  0.389115  1
  S  S66  1  0.499947  0.666581  0.388990  1
  S  S67  1  0.583333  0.791666  0.388924  1
  S  S68  1  0.666664  0.916721  0.388964  1
  S  S69  1  0.250296  0.042283  0.389271  1
  S  S70  1  0.333581  0.166848  0.389224  1
  S  S71  1  0.416840  0.291662  0.389146  1
  S  S72  1  0.500085  0.416641  0.389161  1
  S  S73  1  0.583333  0.541637  0.389144  1
  S  S74  1  0.666719  0.666581  0.388990  1
  S  S75  1  0.750244  0.791626  0.388678  1
  S  S76  1  0.833480  0.916842  0.389279  1
  S  S77  1  0.416792  0.041790  0.389112  1
  S  S78  1  0.500085  0.166712  0.389200  1
  S  S79  1  0.583333  0.291682  0.389219  1
  S  S80  1  0.666581  0.416641  0.389161  1
  S  S81  1  0.749952  0.541524  0.389115  1
  S  S82  1  0.833541  0.666357  0.389368  1
  S  S83  1  0.918457  0.791486  0.389548  1
  S  S84  1  -0.000377  0.918277  0.388484  1
  S  S85  1  0.583333  0.041704  0.389204  1
  S  S86  1  0.666581  0.166712  0.389200  1
  S  S87  1  0.749826  0.291662  0.389146  1
  S  S88  1  0.833177  0.416460  0.389166  1
  S  S89  1  0.916643  0.541038  0.389380  1
  S  S90  1  0.000788  0.665203  0.389123  1
  S  S91  1  0.749875  0.041790  0.389113  1
  S  S92  1  0.833085  0.166848  0.389224  1
  S  S93  1  0.916524  0.291603  0.389166  1
  S  S94  1  -0.000042  0.416316  0.389287  1
  S  S95  1  0.916370  0.042283  0.389272  1
  S  S96  1  -0.000078  0.166928  0.389371  1
  S  S97  1  0.083333  0.792223  0.606491  1
  S  S98  1  0.168311  0.918100  0.612227  1
  S  S99  1  0.083333  0.540585  0.611293  1
  S  S100  1  0.167045  0.664598  0.613523  1
  S  S101  1  0.250264  0.791937  0.611081  1
  S  S102  1  0.333223  0.916625  0.610036  1
  S  S103  1  0.083333  0.291586  0.610852  1
  S  S104  1  0.166828  0.416112  0.610985  1
  S  S105  1  0.250368  0.540946  0.611078  1
  S  S106  1  0.333358  0.666681  0.610344  1
  S  S107  1  0.416506  0.791591  0.610288  1
  S  S108  1  0.499933  0.916542  0.610421  1
  S  S109  1  0.083333  0.042433  0.611156  1
  S  S110  1  0.166864  0.167014  0.610998  1
  S  S111  1  0.250205  0.291626  0.610816  1
  S  S112  1  0.333550  0.416437  0.610725  1
  S  S113  1  0.416778  0.541628  0.610699  1
  S  S114  1  0.499965  0.666724  0.610416  1
  S  S115  1  0.583333  0.791584  0.610257  1
  S  S116  1  0.666733  0.916542  0.610421  1
  S  S117  1  0.250585  0.042353  0.611073  1
  S  S118  1  0.333658  0.166903  0.610822  1
  S  S119  1  0.416838  0.291693  0.610785  1
  S  S120  1  0.500064  0.416675  0.610738  1
  S  S121  1  0.583333  0.541733  0.610613  1
  S  S122  1  0.666702  0.666724  0.610416  1
  S  S123  1  0.750161  0.791591  0.610288  1
  S  S124  1  0.833444  0.916625  0.610036  1
  S  S125  1  0.416827  0.041721  0.610751  1
  S  S126  1  0.500096  0.166699  0.610792  1
  S  S127  1  0.583333  0.291692  0.610782  1
  S  S128  1  0.666603  0.416675  0.610738  1
  S  S129  1  0.749889  0.541628  0.610699  1
  S  S130  1  0.833308  0.666681  0.610344  1
  S  S131  1  0.916403  0.791937  0.611081  1
  S  S132  1  -0.001644  0.918100  0.612227  1
  S  S133  1  0.583333  0.041616  0.610654  1
  S  S134  1  0.666571  0.166699  0.610793  1
  S  S135  1  0.749829  0.291693  0.610785  1
  S  S136  1  0.833117  0.416437  0.610725  1
  S  S137  1  0.916299  0.540946  0.611078  1
  S  S138  1  -0.000378  0.664598  0.613523  1
  S  S139  1  0.749840  0.041721  0.610751  1
  S  S140  1  0.833008  0.166903  0.610822  1
  S  S141  1  0.916462  0.291626  0.610816  1
  S  S142  1  -0.000162  0.416112  0.610985  1
  S  S143  1  0.916081  0.042353  0.611073  1
  S  S144  1  -0.000197  0.167014  0.610998  1
