# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92652950
_cell_length_b   7.92652950
_cell_length_c   48.43778383
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al28 Ni84'
_cell_volume   2635.60945584
_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  0.458435  0.958537  0.308366  1
  Al  Al2  1  0.958435  0.458537  0.308366  1
  Al  Al3  1  0.458435  0.458537  0.308366  1
  Al  Al4  1  0.958435  0.958537  0.308366  1
  Al  Al5  1  0.125102  0.625203  0.375976  1
  Al  Al6  1  0.625102  0.125203  0.375976  1
  Al  Al7  1  0.125102  0.125203  0.375976  1
  Al  Al8  1  0.625102  0.625203  0.375976  1
  Al  Al9  1  0.791768  0.291870  0.442810  1
  Al  Al10  1  0.291768  0.791870  0.442810  1
  Al  Al11  1  0.791768  0.791870  0.442810  1
  Al  Al12  1  0.291768  0.291870  0.442810  1
  Al  Al13  1  0.458435  0.958537  0.509559  1
  Al  Al14  1  0.958435  0.458537  0.509559  1
  Al  Al15  1  0.458435  0.458537  0.509559  1
  Al  Al16  1  0.958435  0.958537  0.509559  1
  Al  Al17  1  0.125102  0.625203  0.576390  1
  Al  Al18  1  0.625102  0.125203  0.576390  1
  Al  Al19  1  0.125102  0.125203  0.576390  1
  Al  Al20  1  0.625102  0.625203  0.576390  1
  Al  Al21  1  0.791768  0.291870  0.643929  1
  Al  Al22  1  0.291768  0.791870  0.643929  1
  Al  Al23  1  0.791768  0.791870  0.643929  1
  Al  Al24  1  0.291768  0.291870  0.643929  1
  Al  Al25  1  0.458435  0.958537  0.708703  1
  Al  Al26  1  0.958435  0.458537  0.708703  1
  Al  Al27  1  0.458435  0.458537  0.708703  1
  Al  Al28  1  0.958435  0.958537  0.708703  1
  Ni  Ni29  1  0.625102  0.125203  0.326467  1
  Ni  Ni30  1  0.625102  0.625203  0.277707  1
  Ni  Ni31  1  0.791768  0.791870  0.293624  1
  Ni  Ni32  1  0.125102  0.625203  0.326467  1
  Ni  Ni33  1  0.125102  0.125203  0.277707  1
  Ni  Ni34  1  0.291768  0.291870  0.293624  1
  Ni  Ni35  1  0.625102  0.625203  0.326467  1
  Ni  Ni36  1  0.625102  0.125203  0.277707  1
  Ni  Ni37  1  0.791768  0.291870  0.293624  1
  Ni  Ni38  1  0.125102  0.125203  0.326467  1
  Ni  Ni39  1  0.125102  0.625203  0.277707  1
  Ni  Ni40  1  0.291768  0.791870  0.293624  1
  Ni  Ni41  1  0.291768  0.791870  0.392759  1
  Ni  Ni42  1  0.291768  0.291870  0.342931  1
  Ni  Ni43  1  0.458435  0.458537  0.358743  1
  Ni  Ni44  1  0.791768  0.291870  0.392759  1
  Ni  Ni45  1  0.791768  0.791870  0.342931  1
  Ni  Ni46  1  0.958435  0.958537  0.358743  1
  Ni  Ni47  1  0.291768  0.291870  0.392759  1
  Ni  Ni48  1  0.291768  0.791870  0.342931  1
  Ni  Ni49  1  0.458435  0.958537  0.358743  1
  Ni  Ni50  1  0.791768  0.791870  0.392759  1
  Ni  Ni51  1  0.791768  0.291870  0.342931  1
  Ni  Ni52  1  0.958435  0.458537  0.358743  1
  Ni  Ni53  1  0.958435  0.458537  0.459417  1
  Ni  Ni54  1  0.958435  0.958537  0.409174  1
  Ni  Ni55  1  0.125102  0.125203  0.426021  1
  Ni  Ni56  1  0.458435  0.958537  0.459417  1
  Ni  Ni57  1  0.458435  0.458537  0.409174  1
  Ni  Ni58  1  0.625102  0.625203  0.426021  1
  Ni  Ni59  1  0.958435  0.958537  0.459417  1
  Ni  Ni60  1  0.958435  0.458537  0.409174  1
  Ni  Ni61  1  0.125102  0.625203  0.426021  1
  Ni  Ni62  1  0.458435  0.458537  0.459417  1
  Ni  Ni63  1  0.458435  0.958537  0.409174  1
  Ni  Ni64  1  0.625102  0.125203  0.426021  1
  Ni  Ni65  1  0.625102  0.125203  0.526309  1
  Ni  Ni66  1  0.625102  0.625203  0.476164  1
  Ni  Ni67  1  0.791768  0.791870  0.492922  1
  Ni  Ni68  1  0.125102  0.625203  0.526309  1
  Ni  Ni69  1  0.125102  0.125203  0.476164  1
  Ni  Ni70  1  0.291768  0.291870  0.492922  1
  Ni  Ni71  1  0.625102  0.625203  0.526309  1
  Ni  Ni72  1  0.625102  0.125203  0.476164  1
  Ni  Ni73  1  0.791768  0.291870  0.492922  1
  Ni  Ni74  1  0.125102  0.125203  0.526309  1
  Ni  Ni75  1  0.125102  0.625203  0.476164  1
  Ni  Ni76  1  0.291768  0.791870  0.492922  1
  Ni  Ni77  1  0.291768  0.791870  0.593375  1
  Ni  Ni78  1  0.291768  0.291870  0.543094  1
  Ni  Ni79  1  0.458435  0.458537  0.559658  1
  Ni  Ni80  1  0.791768  0.291870  0.593375  1
  Ni  Ni81  1  0.791768  0.791870  0.543094  1
  Ni  Ni82  1  0.958435  0.958537  0.559658  1
  Ni  Ni83  1  0.291768  0.291870  0.593375  1
  Ni  Ni84  1  0.291768  0.791870  0.543094  1
  Ni  Ni85  1  0.458435  0.958537  0.559658  1
  Ni  Ni86  1  0.791768  0.791870  0.593375  1
  Ni  Ni87  1  0.791768  0.291870  0.543094  1
  Ni  Ni88  1  0.958435  0.458537  0.559658  1
  Ni  Ni89  1  0.958435  0.458537  0.659418  1
  Ni  Ni90  1  0.958435  0.958537  0.609632  1
  Ni  Ni91  1  0.125102  0.125203  0.626449  1
  Ni  Ni92  1  0.458435  0.958537  0.659418  1
  Ni  Ni93  1  0.458435  0.458537  0.609632  1
  Ni  Ni94  1  0.625102  0.625203  0.626449  1
  Ni  Ni95  1  0.958435  0.958537  0.659418  1
  Ni  Ni96  1  0.958435  0.458537  0.609632  1
  Ni  Ni97  1  0.125102  0.625203  0.626449  1
  Ni  Ni98  1  0.458435  0.458537  0.659418  1
  Ni  Ni99  1  0.458435  0.958537  0.609632  1
  Ni  Ni100  1  0.625102  0.125203  0.626449  1
  Ni  Ni101  1  0.625102  0.125203  0.725237  1
  Ni  Ni102  1  0.625102  0.625203  0.676105  1
  Ni  Ni103  1  0.791768  0.791870  0.694277  1
  Ni  Ni104  1  0.125102  0.625203  0.725237  1
  Ni  Ni105  1  0.125102  0.125203  0.676105  1
  Ni  Ni106  1  0.291768  0.291870  0.694277  1
  Ni  Ni107  1  0.625102  0.625203  0.725237  1
  Ni  Ni108  1  0.625102  0.125203  0.676105  1
  Ni  Ni109  1  0.791768  0.291870  0.694277  1
  Ni  Ni110  1  0.125102  0.125203  0.725237  1
  Ni  Ni111  1  0.125102  0.625203  0.676105  1
  Ni  Ni112  1  0.291768  0.791870  0.694277  1
