data_Re2IrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2IrRh
_chemical_formula_sum   'Re2 Ir1 Rh1'
_cell_volume   60.44
_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
  Re  Re1  1  0.67  0.67  0.03  1.0
  Re  Re2  1  0.67  0.67  0.38  1.0
  Ir  Ir0  1  0.0  0.0  0.7  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_Re2IrRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Re2IrRh
_chemical_formula_sum   'Re4 Ir2 Rh2'
_cell_volume   120.89
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Re  Re0  2  0.17  0.5  0.03  1.0
  Re  Re1  2  0.17  0.5  0.38  1.0
  Ir  Ir2  2  0.0  0.0  0.7  1.0
  Rh  Rh3  2  0.0  0.0  0.0  1.0

Re Re Ir Rh
Re Re Ir Rh 0 3 + + o 0 1 o o o 2 3 o o + 