data_[K4Ce4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [12.3991]
_cell_length_b [8.6264]
_cell_length_c [10.7643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2025]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KCeCl5]
_chemical_formula_sum '[K4 Ce4 Cl20]'
_cell_volume [1050.1419]
_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
[
  K  K0  4  0.0000  0.4594  0.2500  1
  Ce  Ce1  4  0.0000  0.0000  0.0000  1
  Cl  Cl2  8  0.0556  0.2905  0.9916  1
  Cl  Cl3  8  0.2195  0.0755  0.6166  1
  Cl  Cl4  4  0.0000  0.0695  0.2500  1
]