data_[Ce12Ho4Ru12]
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/m]
_cell_length_a [8.3395]
_cell_length_b [10.8438]
_cell_length_c [7.2977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3HoRu3]
_chemical_formula_sum '[Ce12 Ho4 Ru12]'
_cell_volume [659.9367]
_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  4  0.0000  0.1817  0.5000  1
  Ce  Ce1  4  0.0000  0.2559  0.0000  1
  Ce  Ce2  4  0.1290  0.5000  0.6411  1
  Ho  Ho3  4  0.2317  0.0000  0.8674  1
  Ru  Ru4  8  0.1903  0.2572  0.2643  1
  Ru  Ru5  4  0.1031  0.0000  0.2228  1
]