data_[Ce20In12Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.0628]
_cell_length_b [16.3986]
_cell_length_c [7.2361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ce5In3Ru2]
_chemical_formula_sum '[Ce20 In12 Ru8]'
_cell_volume [1075.4047]
_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  0.0000  0.2295  0.2500  1
  Ce  Ce1  8  0.2178  0.5843  0.5000  1
  Ce  Ce2  4  0.0000  0.5000  0.2500  1
  In  In3  8  0.1745  0.3684  0.5000  1
  In  In4  4  0.0000  0.0000  0.2500  1
  Ru  Ru5  8  0.0209  0.1267  0.0000  1
]