data_Fe2CoIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.42
_cell_angle_alpha   131.85
_cell_angle_beta   131.85
_cell_angle_gamma   70.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoIr
_chemical_formula_sum   'Fe2 Co1 Ir1'
_cell_volume   46.82
_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  Fe1  1  0.0  0.8  0.8  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.61  1.0
  Ir  Ir3  1  0.8  0.0  0.8  1.0

data_Fe2CoIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   4.42
_cell_angle_alpha   114.08
_cell_angle_beta   114.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoIr
_chemical_formula_sum   'Fe2 Co1 Ir1'
_cell_volume   46.82
_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
  Fe  Fe1  1  0.0  0.8  0.0  1.0
  Co  Co2  1  0.61  0.61  0.61  1.0
  Ir  Ir3  1  0.8  0.0  0.0  1.0

Fe Fe Co Ir