data_[Cu2Ir4Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9212]
_cell_length_b [2.7321]
_cell_length_c [4.6704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuIr2Rh]
_chemical_formula_sum '[Cu2 Ir4 Rh2]'
_cell_volume [112.0340]
_cell_formula_units_Z [2]
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
[
  Cu  Cu0  2  0.0000  0.0000  0.5000  1.0
  Ir  Ir1  4  0.2486  0.0000  0.2532  1.0
  Rh  Rh2  2  0.0000  0.5000  0.0000  1.0
]