data_FeCoIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   145.72
_cell_angle_beta   132.05
_cell_angle_gamma   60.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoIr
_chemical_formula_sum   'Fe1 Co1 Ir1'
_cell_volume   35.4
_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  0.0  0.08  1.0
  Co  Co0  1  0.0  0.0  0.01  1.0
  Ir  Ir2  1  0.0  0.0  0.53  1.0

data_FeCoIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   3.58
_cell_length_c   4.4
_cell_angle_alpha   113.98
_cell_angle_beta   107.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoIr
_chemical_formula_sum   'Fe1 Co1 Ir1'
_cell_volume   35.4
_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  0.08  0.08  1.0
  Co  Co1  1  0.0  0.01  0.01  1.0
  Ir  Ir2  1  0.0  0.53  0.53  1.0

Fe Co Ir
Fe Co Ir 0 1 o o o 0 2 o o o 0 2 o o - 1 2 o o o 1 2 o o - 