# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77989962
_cell_length_b   16.36867413
_cell_length_c   54.23793769
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al96 Ni32'
_cell_volume   4243.6098305
_cell_formula_units_Z   32
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  0.622683  0.022042  0.296768  1
  Al  Al2  1  0.611101  0.443327  0.352474  1
  Al  Al3  1  0.144198  0.964472  0.269221  1
  Al  Al4  1  0.136966  0.382797  0.324415  1
  Al  Al5  1  0.139440  0.127007  0.289449  1
  Al  Al6  1  0.123384  0.548786  0.345800  1
  Al  Al7  1  0.634869  0.782880  0.357517  1
  Al  Al8  1  0.638966  0.361694  0.303959  1
  Al  Al9  1  0.390196  0.882797  0.324415  1
  Al  Al10  1  0.382965  0.464472  0.269221  1
  Al  Al11  1  0.889442  0.697860  0.278848  1
  Al  Al12  1  0.902854  0.116604  0.336171  1
  Al  Al13  1  0.403778  0.048786  0.345800  1
  Al  Al14  1  0.387723  0.627007  0.289449  1
  Al  Al15  1  0.888196  0.861694  0.303959  1
  Al  Al16  1  0.892294  0.282880  0.357517  1
  Al  Al17  1  0.624308  0.616604  0.336171  1
  Al  Al18  1  0.637721  0.197860  0.278848  1
  Al  Al19  1  0.916062  0.943327  0.352474  1
  Al  Al20  1  0.904480  0.522042  0.296768  1
  Al  Al21  1  0.374395  0.803015  0.276588  1
  Al  Al22  1  0.415133  0.220984  0.328245  1
  Al  Al23  1  0.112029  0.720984  0.328245  1
  Al  Al24  1  0.152768  0.303015  0.276588  1
  Al  Al25  1  0.613462  0.863890  0.408399  1
  Al  Al26  1  0.613130  0.284664  0.463832  1
  Al  Al27  1  0.134011  0.805256  0.379699  1
  Al  Al28  1  0.131614  0.226564  0.435480  1
  Al  Al29  1  0.132125  0.970720  0.401616  1
  Al  Al30  1  0.131482  0.391893  0.457311  1
  Al  Al31  1  0.630934  0.625136  0.468961  1
  Al  Al32  1  0.631743  0.204186  0.413061  1
  Al  Al33  1  0.395548  0.726564  0.435480  1
  Al  Al34  1  0.393151  0.305256  0.379699  1
  Al  Al35  1  0.895020  0.538864  0.391554  1
  Al  Al36  1  0.896092  0.959945  0.447255  1
  Al  Al37  1  0.395680  0.891893  0.457311  1
  Al  Al38  1  0.395038  0.470720  0.401616  1
  Al  Al39  1  0.895420  0.704186  0.413061  1
  Al  Al40  1  0.896228  0.125136  0.468961  1
  Al  Al41  1  0.631070  0.459945  0.447255  1
  Al  Al42  1  0.632142  0.038864  0.391554  1
  Al  Al43  1  0.914033  0.784664  0.463832  1
  Al  Al44  1  0.913701  0.363890  0.408399  1
  Al  Al45  1  0.413798  0.645510  0.384931  1
  Al  Al46  1  0.414484  0.067208  0.440597  1
  Al  Al47  1  0.112678  0.567208  0.440597  1
  Al  Al48  1  0.113365  0.145510  0.384931  1
  Al  Al49  1  0.612678  0.705719  0.519582  1
  Al  Al50  1  0.613365  0.127417  0.575248  1
  Al  Al51  1  0.130934  0.647791  0.491218  1
  Al  Al52  1  0.131743  0.068741  0.547118  1
  Al  Al53  1  0.131070  0.812982  0.512924  1
  Al  Al54  1  0.132142  0.234063  0.568625  1
  Al  Al55  1  0.634011  0.467671  0.580480  1
  Al  Al56  1  0.631614  0.046363  0.524699  1
  Al  Al57  1  0.395420  0.568741  0.547118  1
  Al  Al58  1  0.396228  0.147791  0.491218  1
  Al  Al59  1  0.895680  0.381035  0.502869  1
  Al  Al60  1  0.895038  0.802207  0.558563  1
  Al  Al61  1  0.395020  0.734063  0.568625  1
  Al  Al62  1  0.396092  0.312982  0.512924  1
  Al  Al63  1  0.895548  0.546363  0.524699  1
  Al  Al64  1  0.893151  0.967671  0.580480  1
  Al  Al65  1  0.632125  0.302207  0.558563  1
  Al  Al66  1  0.631482  0.881035  0.502869  1
  Al  Al67  1  0.913798  0.627417  0.575248  1
  Al  Al68  1  0.914484  0.205719  0.519582  1
  Al  Al69  1  0.414033  0.488263  0.496347  1
  Al  Al70  1  0.413701  0.909037  0.551780  1
  Al  Al71  1  0.113462  0.409037  0.551780  1
  Al  Al72  1  0.113130  0.988263  0.496347  1
  Al  Al73  1  0.612029  0.551944  0.631935  1
  Al  Al74  1  0.652768  0.969912  0.683592  1
  Al  Al75  1  0.134869  0.490047  0.602663  1
  Al  Al76  1  0.138966  0.911233  0.656221  1
  Al  Al77  1  0.124308  0.656323  0.624008  1
  Al  Al78  1  0.137721  0.075067  0.681331  1
  Al  Al79  1  0.644198  0.308455  0.690958  1
  Al  Al80  1  0.636966  0.890130  0.635765  1
  Al  Al81  1  0.388196  0.411233  0.656221  1
  Al  Al82  1  0.392294  0.990047  0.602663  1
  Al  Al83  1  0.903778  0.224141  0.614380  1
  Al  Al84  1  0.887723  0.645921  0.670730  1
  Al  Al85  1  0.389442  0.575067  0.681331  1
  Al  Al86  1  0.402854  0.156323  0.624008  1
  Al  Al87  1  0.890196  0.390130  0.635765  1
  Al  Al88  1  0.882965  0.808455  0.690958  1
  Al  Al89  1  0.639440  0.145921  0.670730  1
  Al  Al90  1  0.623384  0.724141  0.614380  1
  Al  Al91  1  0.874395  0.469912  0.683592  1
  Al  Al92  1  0.915133  0.051944  0.631935  1
  Al  Al93  1  0.416062  0.329600  0.607706  1
  Al  Al94  1  0.404480  0.750885  0.663411  1
  Al  Al95  1  0.122683  0.250885  0.663411  1
  Al  Al96  1  0.111101  0.829600  0.607706  1
  Ni  Ni97  1  0.103634  0.999314  0.312959  1
  Ni  Ni98  1  0.093410  0.419448  0.368430  1
  Ni  Ni99  1  0.433752  0.919448  0.368430  1
  Ni  Ni100  1  0.423528  0.499314  0.312959  1
  Ni  Ni101  1  0.868414  0.836484  0.259745  1
  Ni  Ni102  1  0.928964  0.244553  0.313841  1
  Ni  Ni103  1  0.598199  0.744553  0.313841  1
  Ni  Ni104  1  0.658749  0.336484  0.259745  1
  Ni  Ni105  1  0.095941  0.840845  0.423996  1
  Ni  Ni106  1  0.095492  0.261918  0.479700  1
  Ni  Ni107  1  0.431670  0.761918  0.479700  1
  Ni  Ni108  1  0.431221  0.340845  0.423996  1
  Ni  Ni109  1  0.932924  0.668654  0.368836  1
  Ni  Ni110  1  0.931637  0.089847  0.424799  1
  Ni  Ni111  1  0.595526  0.589847  0.424799  1
  Ni  Ni112  1  0.594239  0.168654  0.368836  1
  Ni  Ni113  1  0.095526  0.683080  0.535380  1
  Ni  Ni114  1  0.094239  0.104273  0.591344  1
  Ni  Ni115  1  0.432924  0.604273  0.591344  1
  Ni  Ni116  1  0.431637  0.183080  0.535380  1
  Ni  Ni117  1  0.931670  0.511009  0.480480  1
  Ni  Ni118  1  0.931221  0.932082  0.536183  1
  Ni  Ni119  1  0.595941  0.432082  0.536183  1
  Ni  Ni120  1  0.595492  1.011009  0.480480  1
  Ni  Ni121  1  0.098199  0.528374  0.646338  1
  Ni  Ni122  1  0.158749  0.936443  0.700434  1
  Ni  Ni123  1  0.368414  0.436443  0.700434  1
  Ni  Ni124  1  0.428964  0.028374  0.646338  1
  Ni  Ni125  1  0.933752  0.353479  0.591749  1
  Ni  Ni126  1  0.923528  0.773613  0.647221  1
  Ni  Ni127  1  0.603634  0.273613  0.647221  1
  Ni  Ni128  1  0.593410  0.853479  0.591749  1
