# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08237118
_cell_length_b   12.62962429
_cell_length_c   50.25657568
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al32 Ni96'
_cell_volume   3225.8911172
_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  0.551631  0.914057  0.280481  1
  Al  Al2  1  0.551631  0.543434  0.242592  1
  Al  Al3  1  0.051631  0.727053  0.260815  1
  Al  Al4  1  0.051631  0.122745  0.325388  1
  Al  Al5  1  0.051631  0.043434  0.242592  1
  Al  Al6  1  0.051631  0.414057  0.280481  1
  Al  Al7  1  0.551631  0.622745  0.325388  1
  Al  Al8  1  0.551631  0.227053  0.260815  1
  Al  Al9  1  0.551631  0.702727  0.409284  1
  Al  Al10  1  0.551631  0.308565  0.344542  1
  Al  Al11  1  0.051631  0.494814  0.363608  1
  Al  Al12  1  0.051631  0.888823  0.428204  1
  Al  Al13  1  0.051631  0.808565  0.344542  1
  Al  Al14  1  0.051631  0.202727  0.409284  1
  Al  Al15  1  0.551631  0.388823  0.428204  1
  Al  Al16  1  0.551631  0.994814  0.363608  1
  Al  Al17  1  0.551631  0.469093  0.511895  1
  Al  Al18  1  0.551631  0.074960  0.447109  1
  Al  Al19  1  0.051631  0.282852  0.492880  1
  Al  Al20  1  0.051631  0.655030  0.530808  1
  Al  Al21  1  0.051631  0.574960  0.447109  1
  Al  Al22  1  0.051631  0.969093  0.511895  1
  Al  Al23  1  0.551631  0.155030  0.530808  1
  Al  Al24  1  0.551631  0.782852  0.492880  1
  Al  Al25  1  0.551631  0.236528  0.614318  1
  Al  Al26  1  0.551631  0.862910  0.576206  1
  Al  Al27  1  0.051631  0.049218  0.595809  1
  Al  Al28  1  0.051631  0.443845  0.658004  1
  Al  Al29  1  0.051631  0.362910  0.576206  1
  Al  Al30  1  0.051631  0.736528  0.614318  1
  Al  Al31  1  0.551631  0.943845  0.658004  1
  Al  Al32  1  0.551631  0.549218  0.595809  1
  Ni  Ni33  1  0.300626  0.768498  0.302728  1
  Ni  Ni34  1  0.301093  0.373126  0.239112  1
  Ni  Ni35  1  0.051631  0.914098  0.281291  1
  Ni  Ni36  1  0.051631  0.542553  0.242369  1
  Ni  Ni37  1  0.802635  0.768498  0.302728  1
  Ni  Ni38  1  0.802168  0.373126  0.239112  1
  Ni  Ni39  1  0.801280  0.582835  0.283757  1
  Ni  Ni40  1  0.800898  0.953680  0.322240  1
  Ni  Ni41  1  0.551631  0.727640  0.261555  1
  Ni  Ni42  1  0.551631  0.123312  0.324791  1
  Ni  Ni43  1  0.301981  0.582835  0.283757  1
  Ni  Ni44  1  0.302363  0.953680  0.322240  1
  Ni  Ni45  1  0.801093  0.873126  0.239112  1
  Ni  Ni46  1  0.800626  0.268498  0.302728  1
  Ni  Ni47  1  0.551631  0.042553  0.242369  1
  Ni  Ni48  1  0.551631  0.414098  0.281291  1
  Ni  Ni49  1  0.302168  0.873126  0.239112  1
  Ni  Ni50  1  0.302635  0.268498  0.302728  1
  Ni  Ni51  1  0.300898  0.453680  0.322240  1
  Ni  Ni52  1  0.301280  0.082835  0.283757  1
  Ni  Ni53  1  0.051631  0.623312  0.324791  1
  Ni  Ni54  1  0.051631  0.227640  0.261555  1
  Ni  Ni55  1  0.802363  0.453680  0.322240  1
  Ni  Ni56  1  0.801981  0.082835  0.283757  1
  Ni  Ni57  1  0.300958  0.533777  0.405628  1
  Ni  Ni58  1  0.300568  0.163725  0.367111  1
  Ni  Ni59  1  0.051631  0.703498  0.408349  1
  Ni  Ni60  1  0.051631  0.308575  0.344516  1
  Ni  Ni61  1  0.802303  0.533777  0.405628  1
  Ni  Ni62  1  0.802694  0.163725  0.367111  1
  Ni  Ni63  1  0.801608  0.348698  0.386364  1
  Ni  Ni64  1  0.800878  0.743921  0.450786  1
  Ni  Ni65  1  0.551631  0.494150  0.364431  1
  Ni  Ni66  1  0.551631  0.888845  0.428196  1
  Ni  Ni67  1  0.301654  0.348698  0.386364  1
  Ni  Ni68  1  0.302383  0.743921  0.450786  1
  Ni  Ni69  1  0.800568  0.663725  0.367111  1
  Ni  Ni70  1  0.800958  0.033777  0.405628  1
  Ni  Ni71  1  0.551631  0.808575  0.344516  1
  Ni  Ni72  1  0.551631  0.203498  0.408349  1
  Ni  Ni73  1  0.302694  0.663725  0.367111  1
  Ni  Ni74  1  0.302303  0.033777  0.405628  1
  Ni  Ni75  1  0.300878  0.243921  0.450786  1
  Ni  Ni76  1  0.301608  0.848698  0.386364  1
  Ni  Ni77  1  0.051631  0.388845  0.428196  1
  Ni  Ni78  1  0.051631  0.994150  0.364431  1
  Ni  Ni79  1  0.802383  0.243921  0.450786  1
  Ni  Ni80  1  0.801654  0.848698  0.386364  1
  Ni  Ni81  1  0.300915  0.323934  0.534306  1
  Ni  Ni82  1  0.301658  0.928961  0.470045  1
  Ni  Ni83  1  0.051631  0.469047  0.511907  1
  Ni  Ni84  1  0.051631  0.074154  0.448034  1
  Ni  Ni85  1  0.802347  0.323934  0.534306  1
  Ni  Ni86  1  0.801603  0.928961  0.470045  1
  Ni  Ni87  1  0.800783  0.113906  0.489252  1
  Ni  Ni88  1  0.801351  0.509237  0.553784  1
  Ni  Ni89  1  0.551631  0.283655  0.491985  1
  Ni  Ni90  1  0.551631  0.654346  0.531677  1
  Ni  Ni91  1  0.302478  0.113906  0.489252  1
  Ni  Ni92  1  0.301911  0.509237  0.553784  1
  Ni  Ni93  1  0.801658  0.428961  0.470045  1
  Ni  Ni94  1  0.800915  0.823934  0.534306  1
  Ni  Ni95  1  0.551631  0.574154  0.448034  1
  Ni  Ni96  1  0.551631  0.969047  0.511907  1
  Ni  Ni97  1  0.301603  0.428961  0.470045  1
  Ni  Ni98  1  0.302347  0.823934  0.534306  1
  Ni  Ni99  1  0.301351  0.009237  0.553784  1
  Ni  Ni100  1  0.300783  0.613906  0.489252  1
  Ni  Ni101  1  0.051631  0.154346  0.531677  1
  Ni  Ni102  1  0.051631  0.783655  0.491985  1
  Ni  Ni103  1  0.801911  0.009237  0.553784  1
  Ni  Ni104  1  0.802478  0.613906  0.489252  1
  Ni  Ni105  1  0.302100  0.091400  0.637200  1
  Ni  Ni106  1  0.300758  0.693865  0.572942  1
  Ni  Ni107  1  0.051631  0.235803  0.614662  1
  Ni  Ni108  1  0.051631  0.863603  0.575314  1
  Ni  Ni109  1  0.801161  0.091400  0.637200  1
  Ni  Ni110  1  0.802504  0.693865  0.572942  1
  Ni  Ni111  1  0.800110  0.903856  0.616966  1
  Ni  Ni112  1  0.801415  0.273708  0.656152  1
  Ni  Ni113  1  0.551631  0.049607  0.595537  1
  Ni  Ni114  1  0.551631  0.444167  0.656869  1
  Ni  Ni115  1  0.303151  0.903856  0.616966  1
  Ni  Ni116  1  0.301847  0.273708  0.656152  1
  Ni  Ni117  1  0.800758  0.193865  0.572942  1
  Ni  Ni118  1  0.802100  0.591400  0.637200  1
  Ni  Ni119  1  0.551631  0.363603  0.575314  1
  Ni  Ni120  1  0.551631  0.735803  0.614662  1
  Ni  Ni121  1  0.302504  0.193865  0.572942  1
  Ni  Ni122  1  0.301161  0.591400  0.637200  1
  Ni  Ni123  1  0.301415  0.773708  0.656152  1
  Ni  Ni124  1  0.300110  0.403856  0.616966  1
  Ni  Ni125  1  0.051631  0.944167  0.656869  1
  Ni  Ni126  1  0.051631  0.549607  0.595537  1
  Ni  Ni127  1  0.801847  0.773708  0.656152  1
  Ni  Ni128  1  0.803151  0.403856  0.616966  1
