data_[Ce36Ru18Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ru  2.2000  1.3000  0.6610
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.0804]
_cell_length_b [12.0804]
_cell_length_c [12.0077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ce12Ru6Rh]
_chemical_formula_sum '[Ce36 Ru18 Rh3]'
_cell_volume [1517.5894]
_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  18  0.0134  0.1938  0.3857  1
  Ce  Ce1  18  0.0231  0.2016  0.8743  1
  Ru  Ru2  18  0.0400  0.2669  0.6422  1
  Rh  Rh3  3  0.0000  0.0000  0.0000  1
]