data_FeCo2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   2.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2Ni
_chemical_formula_sum   'Fe1 Co2 Ni1'
_cell_volume   43.21
_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  0.24  0.22  0.22  1.0
  Co  Co1  1  0.24  0.78  0.22  1.0
  Ni  Ni3  1  0.48  0.0  0.0  1.0

data_FeCo2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.45
_cell_length_b   4.33
_cell_length_c   4.33
_cell_angle_alpha   110.07
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2Ni
_chemical_formula_sum   'Fe1 Co2 Ni1'
_cell_volume   43.21
_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  0.22  0.24  0.22  1.0
  Co  Co2  1  0.22  0.24  0.78  1.0
  Ni  Ni3  1  -0.0  0.48  0.0  1.0

Fe Co Co Ni
Fe Co Co Ni 0 1 o o o 2 3 o + o 