data_Fe2IrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   3.65
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2IrRh
_chemical_formula_sum   'Fe2 Ir1 Rh1'
_cell_volume   50.18
_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
  Fe  Fe0  1  0.31  0.83  0.05  1.0
  Fe  Fe1  1  0.0  0.0  0.27  1.0
  Ir  Ir2  1  0.31  0.83  0.51  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_Fe2IrRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   3.65
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2IrRh
_chemical_formula_sum   'Fe2 Ir1 Rh1'
_cell_volume   50.18
_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
  Fe  Fe0  1  0.0  0.0  0.27  1.0
  Fe  Fe1  1  0.31  0.83  0.05  1.0
  Ir  Ir2  1  0.31  0.83  0.51  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

Fe Fe Ir Rh
Fe Fe Ir Rh 0 3 o + o 0 1 o + o 1 2 o - o 1 3 o o o 