data_[Ce6Cd6Rh45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cd  1.6900  1.5500  1.0900
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0763]
_cell_length_b [9.0763]
_cell_length_c [13.4471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce2Cd2Rh15]
_chemical_formula_sum '[Ce6 Cd6 Rh45]'
_cell_volume [959.3431]
_cell_formula_units_Z [3]
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
[
  Ce  Ce0  6  0.0000  0.0000  0.3497  1.0
  Cd  Cd1  6  0.0000  0.0000  0.1010  1.0
  Rh  Rh2  18  0.0000  0.3135  0.0000  1.0
  Rh  Rh3  18  0.0070  0.5035  0.1557  1.0
  Rh  Rh4  9  0.0000  0.5000  0.5000  1.0
]