# generated using pymatgen
data_Fe3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.45894489
_cell_length_b   2.45894489
_cell_length_c   7.98077600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.61436693
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ni
_chemical_formula_sum   'Fe3 Ni1'
_cell_volume   45.99259719
_cell_formula_units_Z   1
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  Fe0  1  0.50000000  0.50000000  0.75100900  1.0
  Fe  Fe1  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe2  1  0.50000000  0.50000000  0.24899100  1.0
  Ni  Ni3  1  0.00000000  0.00000000  0.00000000  1.0