data_[Cs4Li4Ce2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [C2/m]
_cell_length_a [14.4200]
_cell_length_b [8.4694]
_cell_length_c [9.7741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7252]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Li2CeI6]
_chemical_formula_sum '[Cs4 Li4 Ce2 I12]'
_cell_volume [1075.3892]
_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
[
  Cs  Cs0  4  0.2015  0.5000  0.1782  1
  Li  Li1  4  0.0554  0.0000  0.3322  1
  Ce  Ce2  2  0.0000  0.5000  0.5000  1
  I  I3  8  0.0503  0.2623  0.7906  1
  I  I4  4  0.2421  0.5000  0.5970  1
]