data_[Cs3Ba6Na3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.3136]
_cell_length_b [8.3136]
_cell_length_c [22.1113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsBa2NaBr6]
_chemical_formula_sum '[Cs3 Ba6 Na3 Br18]'
_cell_volume [1323.5094]
_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  0.2020  1
  Ba  Ba1  3  0.0000  0.0000  0.4773  1
  Ba  Ba2  3  0.0000  0.0000  0.9913  1
  Na  Na3  3  0.0000  0.0000  0.6803  1
  Br  Br4  9  0.0200  0.3444  0.7450  1
  Br  Br5  9  0.0345  0.6114  0.2503  1
]