data_[Cs3Ce3In6Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.0431]
_cell_length_b [8.0431]
_cell_length_c [20.7981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsCe(InCl3)2]
_chemical_formula_sum '[Cs3 Ce3 In6 Cl18]'
_cell_volume [1165.2183]
_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  0.5089  1.0
  Ce  Ce1  3  0.0000  0.0000  0.9931  1.0
  In  In2  3  0.0000  0.0000  0.3011  1.0
  In  In3  3  0.0000  0.0000  0.7917  1.0
  Cl  Cl4  9  0.0224  0.6358  0.7263  1.0
  Cl  Cl5  9  0.0311  0.2771  0.9043  1.0
]