data_[K6Ce2Cl12]
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 [P2_1/c]
_cell_length_a [7.6131]
_cell_length_b [8.0791]
_cell_length_c [13.2424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8597]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3CeCl6]
_chemical_formula_sum '[K6 Ce2 Cl12]'
_cell_volume [676.3648]
_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
[
  K  K0  4  0.2856  0.0710  0.7583  1.0
  K  K1  2  0.5000  0.0000  0.5000  1.0
  Ce  Ce2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.0979  0.0641  0.2320  1.0
  Cl  Cl4  4  0.2535  0.7187  0.0807  1.0
  Cl  Cl5  4  0.3520  0.1818  0.0594  1.0
]