data_FeCo2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   4.36
_cell_angle_alpha   133.31
_cell_angle_beta   131.66
_cell_angle_gamma   69.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2Ni
_chemical_formula_sum   'Fe1 Co2 Ni1'
_cell_volume   44.28
_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  Fe2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.73  0.0  0.79  1.0
  Co  Co1  1  0.0  0.79  0.8  1.0
  Ni  Ni3  1  0.0  0.0  0.58  1.0

data_FeCo2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.57
_cell_length_c   4.36
_cell_angle_alpha   114.17
_cell_angle_beta   113.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2Ni
_chemical_formula_sum   'Fe1 Co2 Ni1'
_cell_volume   44.28
_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  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.79  0.06  1.0
  Co  Co2  1  0.21  0.01  0.01  1.0
  Ni  Ni3  1  0.0  0.58  0.58  1.0

Fe Co Co Ni
Fe Co Co Ni 0 2 o - - 0 1 - o - 0 3 o o - 1 3 + o o 2 3 o + o 
FeCo2Ni crystallizes in the triclinic P1 space group. Fe(1) is bonded in a water-like geometry to one Co(1), one Co(2), and two equivalent Ni(1) atoms. The Fe(1)-Co(1) bond length is 0.89 Å. The Fe(1)-Co(2) bond length is 0.72 Å. There is one shorter (1.81 Å) and one longer (2.55 Å) Fe(1)-Ni(1) bond length. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Fe(1) and two equivalent Ni(1) atoms. There is one shorter (1.90 Å) and one longer (2.67 Å) Co(1)-Ni(1) bond length. In the second Co site, Co(2) is bonded in a single-bond geometry to one Fe(1) and two equivalent Ni(1) atoms. There is one shorter (1.70 Å) and one longer (2.88 Å) Co(2)-Ni(1) bond length. Ni(1) is bonded in a 6-coordinate geometry to two equivalent Fe(1), two equivalent Co(1), and two equivalent Co(2) atoms.