data_[Ce8Ho12Ru16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ho  1.2300  1.7500  1.0410
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.2742]
_cell_length_b [9.9963]
_cell_length_c [5.8945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce2Ho3Ru4]
_chemical_formula_sum '[Ce8 Ho12 Ru16]'
_cell_volume [821.4430]
_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  0.1879  0.3983  0.9632  1.0
  Ho  Ho1  8  0.0954  0.1079  0.5987  1.0
  Ho  Ho2  4  0.0000  0.3699  0.2500  1.0
  Ru  Ru3  8  0.1246  0.1841  0.1151  1.0
  Ru  Ru4  8  0.2016  0.3629  0.4907  1.0
]