# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99958533
_cell_length_b   8.33925185
_cell_length_c   56.13045036
_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   1404.06378583
_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  0.204286  0.246966  1
  Fe  Fe2  1  0.580416  0.608987  0.278899  1
  Fe  Fe3  1  0.080416  0.105655  0.278750  1
  Fe  Fe4  1  0.080416  0.701773  0.246375  1
  Fe  Fe5  1  0.580416  0.483570  0.232665  1
  Fe  Fe6  1  0.580416  0.895467  0.266029  1
  Fe  Fe7  1  0.580416  0.013880  0.310459  1
  Fe  Fe8  1  0.580416  0.419387  0.342006  1
  Fe  Fe9  1  0.080416  0.917215  0.341847  1
  Fe  Fe10  1  0.080416  0.510424  0.310394  1
  Fe  Fe11  1  0.580416  0.304391  0.295377  1
  Fe  Fe12  1  0.580416  0.708873  0.327535  1
  Fe  Fe13  1  0.580416  0.826227  0.373301  1
  Fe  Fe14  1  0.580416  0.232946  0.404706  1
  Fe  Fe15  1  0.080416  0.731527  0.404569  1
  Fe  Fe16  1  0.080416  0.323956  0.373273  1
  Fe  Fe17  1  0.580416  0.119852  0.357698  1
  Fe  Fe18  1  0.580416  0.524639  0.389791  1
  Fe  Fe19  1  0.580416  0.640259  0.435922  1
  Fe  Fe20  1  0.580416  0.047314  0.467285  1
  Fe  Fe21  1  0.080416  0.546521  0.467142  1
  Fe  Fe22  1  0.080416  0.138808  0.435936  1
  Fe  Fe23  1  0.580416  0.935608  0.420108  1
  Fe  Fe24  1  0.580416  0.340103  0.452246  1
  Fe  Fe25  1  0.580416  0.454993  0.498425  1
  Fe  Fe26  1  0.580416  0.862017  0.529824  1
  Fe  Fe27  1  0.080416  0.361720  0.529613  1
  Fe  Fe28  1  0.080416  0.953874  0.498517  1
  Fe  Fe29  1  0.580416  0.751383  0.482500  1
  Fe  Fe30  1  0.580416  0.155049  0.514824  1
  Fe  Fe31  1  0.580416  0.270075  0.560831  1
  Fe  Fe32  1  0.580416  0.676713  0.592303  1
  Fe  Fe33  1  0.080416  0.177523  0.591989  1
  Fe  Fe34  1  0.080416  0.769004  0.561053  1
  Fe  Fe35  1  0.580416  0.567227  0.544837  1
  Fe  Fe36  1  0.580416  -0.030471  0.577537  1
  Fe  Fe37  1  0.580416  0.084299  0.622851  1
  Fe  Fe38  1  0.580416  0.490268  0.654941  1
  Fe  Fe39  1  0.080416  0.008433  0.655437  1
  Fe  Fe40  1  0.080416  0.584930  0.623374  1
  Fe  Fe41  1  0.580416  0.383855  0.607158  1
  Fe  Fe42  1  0.580416  0.788606  0.640939  1
  Ni  Ni43  1  0.080416  0.402323  0.264828  1
  Ni  Ni44  1  0.080416  -0.009729  0.235996  1
  Ni  Ni45  1  0.080416  0.214817  0.326715  1
  Ni  Ni46  1  0.080416  0.804414  0.296835  1
  Ni  Ni47  1  0.080416  0.029381  0.389024  1
  Ni  Ni48  1  0.080416  0.619144  0.358796  1
  Ni  Ni49  1  0.080416  0.844388  0.451380  1
  Ni  Ni50  1  0.080416  0.434077  0.421108  1
  Ni  Ni51  1  0.080416  0.659697  0.513717  1
  Ni  Ni52  1  0.080416  0.248838  0.483592  1
  Ni  Ni53  1  0.080416  0.475047  0.575984  1
  Ni  Ni54  1  0.080416  0.063293  0.546218  1
  Ni  Ni55  1  0.080416  0.289136  0.637958  1
  Ni  Ni56  1  0.080416  0.876468  0.608973  1
