data_CrFe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59
_cell_length_b   3.54
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe2Ir
_chemical_formula_sum   'Cr1 Fe2 Ir1'
_cell_volume   47.18
_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
  Cr  Cr0  1  0.0  0.0  0.97  1.0
  Fe  Fe1  1  0.3  0.77  0.04  1.0
  Fe  Fe2  1  0.0  0.0  0.14  1.0
  Ir  Ir3  1  0.3  0.77  0.56  1.0

data_CrFe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   3.54
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe2Ir
_chemical_formula_sum   'Cr1 Fe2 Ir1'
_cell_volume   47.18
_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
  Cr  Cr0  1  0.0  0.0  0.97  1.0
  Fe  Fe1  1  0.0  0.0  0.14  1.0
  Fe  Fe2  1  0.3  0.77  0.04  1.0
  Ir  Ir3  1  0.3  0.77  0.56  1.0

Cr Fe Fe Ir