data_[Ce20Cd8Ru8]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [16.2164]
_cell_length_b [8.6402]
_cell_length_c [6.6176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ce5(CdRu)2]
_chemical_formula_sum '[Ce20 Cd8 Ru8]'
_cell_volume [927.2042]
_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
[
  Ce  Ce0  8  0.0436  0.2137  0.8311  1
  Ce  Ce1  8  0.1603  0.5990  0.5623  1
  Ce  Ce2  4  0.2500  0.2129  0.4643  1
  Cd  Cd3  8  0.0970  0.5518  0.0271  1
  Ru  Ru4  4  0.0000  0.0000  0.1341  1
  Ru  Ru5  4  0.2500  0.0116  0.7246  1
]