data_[K4Li2Ce2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2032]
_cell_length_b [8.6815]
_cell_length_c [14.3331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2LiCeI6]
_chemical_formula_sum '[K4 Li2 Ce2 I12]'
_cell_volume [842.8016]
_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  0.2839  0.5845  0.7538  1.0
  Li  Li1  2  0.5000  0.0000  0.0000  1.0
  Ce  Ce2  2  0.0000  0.0000  0.5000  1.0
  I  I3  4  0.1491  0.5232  0.2561  1.0
  I  I4  4  0.2461  0.1935  0.0522  1.0
  I  I5  4  0.3659  0.6995  0.0542  1.0
]