data_[Rb18Ce12I54]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ce  1.1200  1.8500  1.0800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [15.1959]
_cell_length_b [15.1959]
_cell_length_c [21.1814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Rb3Ce2I9]
_chemical_formula_sum '[Rb18 Ce12 I54]'
_cell_volume [4235.8459]
_cell_formula_units_Z [6]
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
[
  Rb  Rb0  18  0.0000  0.3053  0.2500  1
  Ce  Ce1  12  0.0000  0.0000  0.1484  1
  I  I2  36  0.0228  0.8307  0.9147  1
  I  I3  18  0.0000  0.1584  0.7500  1
]