# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81499686
_cell_length_b   7.81312145
_cell_length_c   46.06067463
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al28 Ni84'
_cell_volume   2755.61978539
_cell_formula_units_Z   28
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  0.739831  0.741070  0.289233  1
  Al  Al2  1  0.239831  0.241070  0.289233  1
  Al  Al3  1  0.153859  0.655010  0.318074  1
  Al  Al4  1  0.653859  0.155010  0.318074  1
  Al  Al5  1  0.572331  0.573485  0.351060  1
  Al  Al6  1  0.072331  0.073485  0.351060  1
  Al  Al7  1  0.987065  0.488193  0.381055  1
  Al  Al8  1  0.487065  0.988193  0.381055  1
  Al  Al9  1  0.403611  0.404707  0.412840  1
  Al  Al10  1  0.903611  0.904707  0.412840  1
  Al  Al11  1  0.818381  0.319456  0.444862  1
  Al  Al12  1  0.318381  0.819456  0.444862  1
  Al  Al13  1  0.233685  0.234723  0.476270  1
  Al  Al14  1  0.733685  0.734723  0.476270  1
  Al  Al15  1  0.648819  0.149832  0.507957  1
  Al  Al16  1  0.148819  0.649832  0.507957  1
  Al  Al17  1  0.064014  0.065001  0.539580  1
  Al  Al18  1  0.564014  0.565001  0.539580  1
  Al  Al19  1  0.479243  0.980186  0.570813  1
  Al  Al20  1  0.979243  0.480186  0.570813  1
  Al  Al21  1  0.894234  0.895163  0.603412  1
  Al  Al22  1  0.394234  0.395163  0.603412  1
  Al  Al23  1  0.311790  0.812705  0.634991  1
  Al  Al24  1  0.811790  0.312705  0.634991  1
  Al  Al25  1  0.727106  0.727958  0.662914  1
  Al  Al26  1  0.227106  0.227958  0.662914  1
  Al  Al27  1  0.146592  0.647455  0.696749  1
  Al  Al28  1  0.646592  0.147455  0.696749  1
  Ni  Ni29  1  0.862180  0.617345  0.334966  1
  Ni  Ni30  1  0.362180  0.117345  0.334966  1
  Ni  Ni31  1  0.449797  0.700582  0.305909  1
  Ni  Ni32  1  0.949797  0.200582  0.305909  1
  Ni  Ni33  1  0.905411  0.906564  0.320474  1
  Ni  Ni34  1  0.405411  0.406564  0.320474  1
  Ni  Ni35  1  0.476911  0.978141  0.292753  1
  Ni  Ni36  1  0.976911  0.478141  0.292753  1
  Ni  Ni37  1  0.616172  0.863351  0.334965  1
  Ni  Ni38  1  0.116172  0.363351  0.334965  1
  Ni  Ni39  1  0.199434  0.950968  0.305909  1
  Ni  Ni40  1  0.699434  0.450968  0.305909  1
  Ni  Ni41  1  0.696151  0.445893  0.397614  1
  Ni  Ni42  1  0.196151  0.945893  0.397614  1
  Ni  Ni43  1  0.279089  0.531424  0.365341  1
  Ni  Ni44  1  0.779089  0.031424  0.365341  1
  Ni  Ni45  1  0.737926  0.739057  0.381992  1
  Ni  Ni46  1  0.237926  0.239057  0.381992  1
  Ni  Ni47  1  0.320539  0.821693  0.349911  1
  Ni  Ni48  1  0.820539  0.321693  0.349911  1
  Ni  Ni49  1  0.444776  0.697269  0.397614  1
  Ni  Ni50  1  0.944776  0.197269  0.397614  1
  Ni  Ni51  1  0.030285  0.780227  0.365339  1
  Ni  Ni52  1  0.530285  0.280227  0.365339  1
  Ni  Ni53  1  0.525980  0.277277  0.460463  1
  Ni  Ni54  1  0.025980  0.777277  0.460463  1
  Ni  Ni55  1  0.110739  0.362479  0.428865  1
  Ni  Ni56  1  0.610739  0.862479  0.428865  1
  Ni  Ni57  1  0.568553  0.569627  0.444711  1
  Ni  Ni58  1  0.068553  0.069627  0.444711  1
  Ni  Ni59  1  0.152855  0.653953  0.412910  1
  Ni  Ni60  1  0.652855  0.153953  0.412910  1
  Ni  Ni61  1  0.276220  0.527036  0.460463  1
  Ni  Ni62  1  0.776220  0.027036  0.460463  1
  Ni  Ni63  1  0.861399  0.611821  0.428865  1
  Ni  Ni64  1  0.361399  0.111821  0.428865  1
  Ni  Ni65  1  0.356269  0.107431  0.523613  1
  Ni  Ni66  1  0.856269  0.607431  0.523613  1
  Ni  Ni67  1  0.941328  0.192120  0.492163  1
  Ni  Ni68  1  0.441328  0.692120  0.492163  1
  Ni  Ni69  1  0.398719  0.399732  0.508005  1
  Ni  Ni70  1  0.898719  0.899732  0.508005  1
  Ni  Ni71  1  0.983799  0.484838  0.476311  1
  Ni  Ni72  1  0.483799  0.984838  0.476311  1
  Ni  Ni73  1  0.106434  0.357265  0.523613  1
  Ni  Ni74  1  0.606434  0.857265  0.523613  1
  Ni  Ni75  1  0.691093  0.442356  0.492164  1
  Ni  Ni76  1  0.191093  0.942356  0.492164  1
  Ni  Ni77  1  0.186824  0.937500  0.587103  1
  Ni  Ni78  1  0.686824  0.437500  0.587103  1
  Ni  Ni79  1  0.771887  0.022385  0.555530  1
  Ni  Ni80  1  0.271887  0.522385  0.555530  1
  Ni  Ni81  1  0.229620  0.230565  0.570961  1
  Ni  Ni82  1  0.729620  0.730565  0.570961  1
  Ni  Ni83  1  0.813685  0.314670  0.539549  1
  Ni  Ni84  1  0.313685  0.814670  0.539549  1
  Ni  Ni85  1  0.936552  0.187768  0.587104  1
  Ni  Ni86  1  0.436552  0.687768  0.587104  1
  Ni  Ni87  1  0.521421  0.272853  0.555530  1
  Ni  Ni88  1  0.021421  0.772853  0.555530  1
  Ni  Ni89  1  0.021338  0.769455  0.650423  1
  Ni  Ni90  1  0.521338  0.269455  0.650423  1
  Ni  Ni91  1  0.601053  0.854439  0.617681  1
  Ni  Ni92  1  0.101053  0.354439  0.617681  1
  Ni  Ni93  1  0.059260  0.060170  0.634343  1
  Ni  Ni94  1  0.559260  0.560170  0.634343  1
  Ni  Ni95  1  0.645523  0.146449  0.602971  1
  Ni  Ni96  1  0.145523  0.646449  0.602971  1
  Ni  Ni97  1  0.768573  0.022222  0.650424  1
  Ni  Ni98  1  0.268573  0.522222  0.650424  1
  Ni  Ni99  1  0.353536  0.101958  0.617679  1
  Ni  Ni100  1  0.853536  0.601958  0.617679  1
  Ni  Ni101  1  0.850764  0.601762  0.707102  1
  Ni  Ni102  1  0.350764  0.101762  0.707102  1
  Ni  Ni103  1  0.439451  0.683253  0.680786  1
  Ni  Ni104  1  0.939451  0.183253  0.680786  1
  Ni  Ni105  1  0.891837  0.892699  0.693703  1
  Ni  Ni106  1  0.391837  0.392699  0.693703  1
  Ni  Ni107  1  0.480596  0.981446  0.664429  1
  Ni  Ni108  1  0.980596  0.481446  0.664429  1
  Ni  Ni109  1  0.600930  0.851579  0.707103  1
  Ni  Ni110  1  0.100930  0.351579  0.707103  1
  Ni  Ni111  1  0.182354  0.940340  0.680787  1
  Ni  Ni112  1  0.682354  0.440340  0.680787  1
