data_[Rb3Ba6Na3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8476]
_cell_length_b [7.8476]
_cell_length_c [20.7146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbBa2NaCl6]
_chemical_formula_sum '[Rb3 Ba6 Na3 Cl18]'
_cell_volume [1104.7790]
_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
[
  Rb  Rb0  3  0.0000  0.0000  0.8050  1.0
  Ba  Ba1  3  0.0000  0.0000  0.0146  1.0
  Ba  Ba2  3  0.0000  0.0000  0.5222  1.0
  Na  Na3  3  0.0000  0.0000  0.3173  1.0
  Cl  Cl4  9  0.0135  0.3626  0.5866  1.0
  Cl  Cl5  9  0.0678  0.6899  0.0806  1.0
]