# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97980848
_cell_length_b   5.98507600
_cell_length_c   48.61072830
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.74511045
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe36 Ni36'
_cell_volume   1648.1627637
_cell_formula_units_Z   36
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
  Fe  Fe1  1  0.255149  0.009004  0.311965  1
  Fe  Fe2  1  0.755149  0.009004  0.311965  1
  Fe  Fe3  1  0.634639  0.268122  0.286463  1
  Fe  Fe4  1  0.134639  0.268122  0.286463  1
  Fe  Fe5  1  0.495995  0.490437  0.362018  1
  Fe  Fe6  1  0.995995  0.490437  0.362018  1
  Fe  Fe7  1  0.875105  0.748799  0.337204  1
  Fe  Fe8  1  0.375105  0.748799  0.337204  1
  Fe  Fe9  1  0.737817  0.973822  0.412012  1
  Fe  Fe10  1  0.237817  0.973822  0.412012  1
  Fe  Fe11  1  0.116879  0.232075  0.386981  1
  Fe  Fe12  1  0.616879  0.232075  0.386981  1
  Fe  Fe13  1  0.979565  0.457064  0.462022  1
  Fe  Fe14  1  0.479565  0.457064  0.462022  1
  Fe  Fe15  1  0.358680  0.715423  0.437044  1
  Fe  Fe16  1  0.858680  0.715423  0.437044  1
  Fe  Fe17  1  0.221355  0.940386  0.512029  1
  Fe  Fe18  1  0.721355  0.940386  0.512029  1
  Fe  Fe19  1  0.600457  0.198718  0.487017  1
  Fe  Fe20  1  0.100457  0.198718  0.487017  1
  Fe  Fe21  1  0.463131  0.423681  0.562002  1
  Fe  Fe22  1  0.963131  0.423681  0.562002  1
  Fe  Fe23  1  0.842246  0.682040  0.537024  1
  Fe  Fe24  1  0.342246  0.682040  0.537024  1
  Fe  Fe25  1  0.704932  0.907030  0.612065  1
  Fe  Fe26  1  0.204932  0.907030  0.612065  1
  Fe  Fe27  1  0.083995  0.165282  0.587034  1
  Fe  Fe28  1  0.583995  0.165282  0.587034  1
  Fe  Fe29  1  0.946706  0.390305  0.661843  1
  Fe  Fe30  1  0.446706  0.390305  0.661843  1
  Fe  Fe31  1  0.325816  0.648667  0.637028  1
  Fe  Fe32  1  0.825816  0.648667  0.637028  1
  Fe  Fe33  1  0.187172  0.870982  0.712583  1
  Fe  Fe34  1  0.687172  0.870982  0.712583  1
  Fe  Fe35  1  0.566662  0.130100  0.687081  1
  Fe  Fe36  1  0.066662  0.130100  0.687081  1
  Ni  Ni37  1  0.504842  0.508407  0.311968  1
  Ni  Ni38  1  0.004842  0.508407  0.311968  1
  Ni  Ni39  1  0.884090  0.767034  0.287279  1
  Ni  Ni40  1  0.384090  0.767034  0.287279  1
  Ni  Ni41  1  0.746123  0.990691  0.361986  1
  Ni  Ni42  1  0.246123  0.990691  0.361986  1
  Ni  Ni43  1  0.125186  0.248942  0.336954  1
  Ni  Ni44  1  0.625186  0.248942  0.336954  1
  Ni  Ni45  1  0.987769  0.473728  0.412023  1
  Ni  Ni46  1  0.487769  0.473728  0.412023  1
  Ni  Ni47  1  0.366861  0.732041  0.387078  1
  Ni  Ni48  1  0.866861  0.732041  0.387078  1
  Ni  Ni49  1  0.229583  0.957098  0.462022  1
  Ni  Ni50  1  0.729583  0.957098  0.462022  1
  Ni  Ni51  1  0.608686  0.215433  0.437008  1
  Ni  Ni52  1  0.108686  0.215433  0.437008  1
  Ni  Ni53  1  0.471350  0.440377  0.512017  1
  Ni  Ni54  1  0.971350  0.440377  0.512017  1
  Ni  Ni55  1  0.850461  0.698727  0.487029  1
  Ni  Ni56  1  0.350461  0.698727  0.487029  1
  Ni  Ni57  1  0.713126  0.923671  0.562039  1
  Ni  Ni58  1  0.213126  0.923671  0.562039  1
  Ni  Ni59  1  0.092229  0.182006  0.537024  1
  Ni  Ni60  1  0.592229  0.182006  0.537024  1
  Ni  Ni61  1  0.954950  0.407063  0.611968  1
  Ni  Ni62  1  0.454950  0.407063  0.611968  1
  Ni  Ni63  1  0.334043  0.665376  0.587023  1
  Ni  Ni64  1  0.834043  0.665376  0.587023  1
  Ni  Ni65  1  0.196625  0.890162  0.662092  1
  Ni  Ni66  1  0.696625  0.890162  0.662092  1
  Ni  Ni67  1  0.575689  0.148413  0.637060  1
  Ni  Ni68  1  0.075689  0.148413  0.637060  1
  Ni  Ni69  1  0.437721  0.372070  0.711767  1
  Ni  Ni70  1  0.937721  0.372070  0.711767  1
  Ni  Ni71  1  0.816969  0.630698  0.687078  1
  Ni  Ni72  1  0.316969  0.630698  0.687078  1
