# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87488026
_cell_length_b   6.13658308
_cell_length_c   54.89037589
_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   'Al36 Ni12'
_cell_volume   1642.05150714
_cell_formula_units_Z   12
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  0.388888  0.028457  0.315498  1
  Al  Al2  1  0.864355  0.189559  0.346223  1
  Al  Al3  1  0.875983  0.185418  0.287837  1
  Al  Al4  1  0.362173  0.328370  0.357977  1
  Al  Al5  1  0.642795  0.689559  0.346223  1
  Al  Al6  1  0.146117  0.828562  0.417700  1
  Al  Al7  1  0.631167  0.685418  0.287837  1
  Al  Al8  1  0.144977  0.828370  0.357977  1
  Al  Al9  1  0.361033  0.328562  0.417700  1
  Al  Al10  1  0.118262  0.528457  0.315498  1
  Al  Al11  1  0.605722  0.994826  0.387720  1
  Al  Al12  1  0.901428  0.494826  0.387720  1
  Al  Al13  1  0.401388  0.021480  0.459349  1
  Al  Al14  1  0.860944  0.187589  0.489266  1
  Al  Al15  1  0.860950  0.187626  0.429422  1
  Al  Al16  1  0.360944  0.328523  0.500984  1
  Al  Al17  1  0.646205  0.687589  0.489266  1
  Al  Al18  1  0.146199  0.828486  0.560829  1
  Al  Al19  1  0.646199  0.687626  0.429422  1
  Al  Al20  1  0.146205  0.828523  0.500984  1
  Al  Al21  1  0.360950  0.328486  0.560829  1
  Al  Al22  1  0.105761  0.521480  0.459349  1
  Al  Al23  1  0.605761  0.994632  0.530901  1
  Al  Al24  1  0.901388  0.494632  0.530901  1
  Al  Al25  1  0.401428  0.021286  0.602531  1
  Al  Al26  1  0.862173  0.187742  0.632274  1
  Al  Al27  1  0.861033  0.187550  0.572551  1
  Al  Al28  1  0.364355  0.326553  0.644027  1
  Al  Al29  1  0.644977  0.687742  0.632274  1
  Al  Al30  1  0.131167  0.830693  0.702413  1
  Al  Al31  1  0.646117  0.687550  0.572551  1
  Al  Al32  1  0.142795  0.826553  0.644027  1
  Al  Al33  1  0.375983  0.330693  0.702413  1
  Al  Al34  1  0.105722  0.521286  0.602531  1
  Al  Al35  1  0.618262  0.987655  0.674753  1
  Al  Al36  1  0.888888  0.487655  0.674753  1
  Ni  Ni37  1  0.909066  0.892322  0.317259  1
  Ni  Ni38  1  0.598084  0.392322  0.317259  1
  Ni  Ni39  1  0.090923  0.122807  0.387810  1
  Ni  Ni40  1  0.416227  0.622807  0.387810  1
  Ni  Ni41  1  0.916147  0.893575  0.459343  1
  Ni  Ni42  1  0.591002  0.393575  0.459343  1
  Ni  Ni43  1  0.091002  0.122537  0.530908  1
  Ni  Ni44  1  0.416147  0.622537  0.530908  1
  Ni  Ni45  1  0.916227  0.893305  0.602441  1
  Ni  Ni46  1  0.590923  0.393305  0.602441  1
  Ni  Ni47  1  0.098084  0.123790  0.672991  1
  Ni  Ni48  1  0.409066  0.623790  0.672991  1
