data_[Ce12Co2Ru4Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8560]
_cell_length_b [11.8708]
_cell_length_c [7.7691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6CoRu2Cl3]
_chemical_formula_sum '[Ce12 Co2 Ru4 Cl6]'
_cell_volume [604.3206]
_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  8  0.2317  0.1638  0.2039  1.0
  Ce  Ce1  4  0.2407  0.5000  0.2048  1.0
  Co  Co2  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  4  0.0000  0.3335  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1677  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]