data_[Cs18Ce3Br36]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [15.1856]
_cell_length_b [15.1856]
_cell_length_c [14.7304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cs6CeBr12]
_chemical_formula_sum '[Cs18 Ce3 Br36]'
_cell_volume [2941.7741]
_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  18  0.0637  0.4756  0.3135  1
  Ce  Ce1  3  0.0000  0.0000  0.0000  1
  Br  Br2  18  0.0452  0.1704  0.8926  1
  Br  Br3  18  0.0744  0.2553  0.3984  1
]