data_[Li6Ce2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmmm]
_cell_length_a [8.4902]
_cell_length_b [12.9835]
_cell_length_c [4.4139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li3CeCl6]
_chemical_formula_sum '[Li6 Ce2 Cl12]'
_cell_volume [486.5566]
_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
[
  Li  Li0  4  0.2500  0.2500  0.5000  1
  Li  Li1  2  0.0000  0.0000  0.0000  1
  Ce  Ce2  2  0.0000  0.5000  0.0000  1
  Cl  Cl3  8  0.2092  0.1250  0.0000  1
  Cl  Cl4  4  0.0000  0.3581  0.5000  1
]