# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.00277827
_cell_length_b   5.16786490
_cell_length_c   56.45704206
_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   'Fe27 Ni9'
_cell_volume   876.097690726
_cell_formula_units_Z   9
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  0.579799  0.360335  0.248776  1
  Fe  Fe2  1  0.079799  0.601436  0.221673  1
  Fe  Fe3  1  0.579799  0.842537  0.248776  1
  Fe  Fe4  1  0.579799  0.855732  0.298614  1
  Fe  Fe5  1  0.079799  0.101436  0.273048  1
  Fe  Fe6  1  0.579799  0.347139  0.298614  1
  Fe  Fe7  1  0.579799  0.353319  0.348615  1
  Fe  Fe8  1  0.079799  0.601436  0.323389  1
  Fe  Fe9  1  0.579799  0.849553  0.348615  1
  Fe  Fe10  1  0.579799  0.852216  0.398602  1
  Fe  Fe11  1  0.079799  0.101436  0.373509  1
  Fe  Fe12  1  0.579799  0.350655  0.398602  1
  Fe  Fe13  1  0.579799  0.351621  0.448581  1
  Fe  Fe14  1  0.079799  0.601436  0.423556  1
  Fe  Fe15  1  0.579799  0.851250  0.448581  1
  Fe  Fe16  1  0.579799  0.851148  0.498558  1
  Fe  Fe17  1  0.079799  0.101436  0.473573  1
  Fe  Fe18  1  0.579799  0.351724  0.498558  1
  Fe  Fe19  1  0.579799  0.350489  0.548539  1
  Fe  Fe20  1  0.079799  0.601436  0.523594  1
  Fe  Fe21  1  0.579799  0.852382  0.548539  1
  Fe  Fe22  1  0.579799  0.849396  0.598544  1
  Fe  Fe23  1  0.079799  0.101436  0.573641  1
  Fe  Fe24  1  0.579799  0.353476  0.598544  1
  Fe  Fe25  1  0.579799  0.346238  0.649197  1
  Fe  Fe26  1  0.079799  0.601436  0.623597  1
  Fe  Fe27  1  0.579799  0.856634  0.649197  1
  Ni  Ni28  1  0.079799  0.101436  0.225324  1
  Ni  Ni29  1  0.079799  0.601436  0.274205  1
  Ni  Ni30  1  0.079799  0.101436  0.323869  1
  Ni  Ni31  1  0.079799  0.601436  0.373721  1
  Ni  Ni32  1  0.079799  0.101436  0.423632  1
  Ni  Ni33  1  0.079799  0.601436  0.473565  1
  Ni  Ni34  1  0.079799  0.101436  0.523496  1
  Ni  Ni35  1  0.079799  0.601436  0.573396  1
  Ni  Ni36  1  0.079799  0.101436  0.623163  1
