# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99958625
_cell_length_b   8.33928756
_cell_length_c   56.12991411
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni
_chemical_formula_sum   'Fe42 Ni14'
_cell_volume   1404.05681214
_cell_formula_units_Z   14
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  0.580416  0.204292  0.246969  1
  Fe  Fe2  1  0.580416  0.608992  0.278902  1
  Fe  Fe3  1  0.080416  0.105660  0.278753  1
  Fe  Fe4  1  0.080416  0.701778  0.246378  1
  Fe  Fe5  1  0.580416  0.483576  0.232668  1
  Fe  Fe6  1  0.580416  0.895471  0.266032  1
  Fe  Fe7  1  0.580416  0.013883  0.310463  1
  Fe  Fe8  1  0.580416  0.419390  0.342010  1
  Fe  Fe9  1  0.080416  0.917217  0.341851  1
  Fe  Fe10  1  0.080416  0.510427  0.310397  1
  Fe  Fe11  1  0.580416  0.304396  0.295380  1
  Fe  Fe12  1  0.580416  0.708876  0.327538  1
  Fe  Fe13  1  0.580416  0.826228  0.373305  1
  Fe  Fe14  1  0.580416  0.232946  0.404710  1
  Fe  Fe15  1  0.080416  0.731526  0.404573  1
  Fe  Fe16  1  0.080416  0.323957  0.373277  1
  Fe  Fe17  1  0.580416  0.119854  0.357702  1
  Fe  Fe18  1  0.580416  0.524639  0.389795  1
  Fe  Fe19  1  0.580416  0.640257  0.435926  1
  Fe  Fe20  1  0.580416  0.047311  0.467290  1
  Fe  Fe21  1  0.080416  0.546518  0.467146  1
  Fe  Fe22  1  0.080416  0.138807  0.435940  1
  Fe  Fe23  1  0.580416  0.935607  0.420112  1
  Fe  Fe24  1  0.580416  0.340100  0.452250  1
  Fe  Fe25  1  0.580416  0.454988  0.498430  1
  Fe  Fe26  1  0.580416  0.862011  0.529828  1
  Fe  Fe27  1  0.080416  0.361714  0.529617  1
  Fe  Fe28  1  0.080416  0.953870  0.498522  1
  Fe  Fe29  1  0.580416  0.751380  0.482504  1
  Fe  Fe30  1  0.580416  0.155044  0.514829  1
  Fe  Fe31  1  0.580416  0.270068  0.560836  1
  Fe  Fe32  1  0.580416  0.676704  0.592308  1
  Fe  Fe33  1  0.080416  0.177515  0.591994  1
  Fe  Fe34  1  0.080416  0.768997  0.561058  1
  Fe  Fe35  1  0.580416  0.567221  0.544842  1
  Fe  Fe36  1  0.580416  -0.030479  0.577542  1
  Fe  Fe37  1  0.580416  0.084289  0.622856  1
  Fe  Fe38  1  0.580416  0.490257  0.654947  1
  Fe  Fe39  1  0.080416  0.008424  0.655442  1
  Fe  Fe40  1  0.080416  0.584921  0.623379  1
  Fe  Fe41  1  0.580416  0.383847  0.607163  1
  Fe  Fe42  1  0.580416  0.788597  0.640945  1
  Ni  Ni43  1  0.080416  0.402329  0.264832  1
  Ni  Ni44  1  0.080416  -0.009723  0.235999  1
  Ni  Ni45  1  0.080416  0.214820  0.326719  1
  Ni  Ni46  1  0.080416  0.804417  0.296839  1
  Ni  Ni47  1  0.080416  0.029381  0.389028  1
  Ni  Ni48  1  0.080416  0.619145  0.358800  1
  Ni  Ni49  1  0.080416  0.844386  0.451384  1
  Ni  Ni50  1  0.080416  0.434075  0.421112  1
  Ni  Ni51  1  0.080416  0.659692  0.513721  1
  Ni  Ni52  1  0.080416  0.248834  0.483597  1
  Ni  Ni53  1  0.080416  0.475039  0.575989  1
  Ni  Ni54  1  0.080416  0.063286  0.546223  1
  Ni  Ni55  1  0.080416  0.289126  0.637964  1
  Ni  Ni56  1  0.080416  0.876458  0.608978  1
