data_[Cs3Li12Ce9Cl36]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [14.9170]
_cell_length_b [14.9170]
_cell_length_c [9.7615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [CsLi4Ce3Cl12]
_chemical_formula_sum '[Cs3 Li12 Ce9 Cl36]'
_cell_volume [1881.0910]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Li  Li1  9  0.0000  0.4215  0.5000  1.0
  Li  Li2  3  0.0000  0.0000  0.5000  1.0
  Ce  Ce3  9  0.0000  0.5737  0.0000  1.0
  Cl  Cl4  18  0.0603  0.2345  0.1741  1.0
  Cl  Cl5  9  0.0000  0.5786  0.5000  1.0
  Cl  Cl6  9  0.0000  0.8476  0.5000  1.0
]