data_[Cu4Ir8Rh16]
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 [Cccm]
_cell_length_a [5.3516]
_cell_length_b [9.3870]
_cell_length_c [8.7532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [66]
_chemical_formula_structural [Cu(IrRh2)2]
_chemical_formula_sum '[Cu4 Ir8 Rh16]'
_cell_volume [439.7215]
_cell_formula_units_Z [4]
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  4  0.0000  0.5000  0.2500  1
  Ir  Ir1  8  0.1084  0.8867  0.0000  1
  Rh  Rh2  8  0.1165  0.3692  0.0000  1
  Rh  Rh3  8  0.2500  0.2500  0.2655  1
]