data_[K2Ce4Cl16]
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/m]
_cell_length_a [8.6160]
_cell_length_b [12.7492]
_cell_length_c [5.4884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KCe2Cl8]
_chemical_formula_sum '[K2 Ce4 Cl16]'
_cell_volume [593.8124]
_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  2  0.0000  0.0000  0.5000  1.0
  Ce  Ce1  4  0.0000  0.3194  0.0000  1.0
  Cl  Cl2  8  0.1920  0.1366  0.0769  1.0
  Cl  Cl3  4  0.0000  0.2579  0.5000  1.0
  Cl  Cl4  4  0.1005  0.5000  0.2783  1.0
]