data_[Ce8Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.3280]
_cell_length_b [6.4081]
_cell_length_c [7.7256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce2Cl5]
_chemical_formula_sum '[Ce8 Cl20]'
_cell_volume [751.8448]
_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  0.1085  0.2860  0.0851  1.0
  Cl  Cl1  8  0.0846  0.1281  0.4255  1.0
  Cl  Cl2  8  0.2204  0.4220  0.8285  1.0
  Cl  Cl3  4  0.0000  0.4073  0.7500  1.0
]