data_[Ce12Co4Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0308]
_cell_length_b [11.9438]
_cell_length_c [7.2163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3CoCl2]
_chemical_formula_sum '[Ce12 Co4 Cl8]'
_cell_volume [571.7457]
_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  0.2497  0.3191  0.7726  1
  Ce  Ce1  4  0.2106  0.5000  0.2118  1
  Co  Co2  4  0.0000  0.3340  0.0000  1
  Cl  Cl3  4  0.0000  0.1536  0.5000  1
  Cl  Cl4  2  0.0000  0.0000  0.0000  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]