data_[Ce12Co4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Co  1.8800  1.3500  0.7683
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2386]
_cell_length_b [6.9632]
_cell_length_c [11.3122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce6Co2Ru]
_chemical_formula_sum '[Ce12 Co4 Ru2]'
_cell_volume [421.7917]
_cell_formula_units_Z [2]
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  0.0670  0.1810  0.4207  1.0
  Ce  Ce1  4  0.2818  0.6476  0.4432  1.0
  Ce  Ce2  4  0.3942  0.0758  0.2349  1.0
  Co  Co3  4  0.1816  0.1259  0.7319  1.0
  Ru  Ru4  2  0.5000  0.0000  0.5000  1.0
]