data_[Ba3Na6Cd3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.1533]
_cell_length_b [8.1533]
_cell_length_c [22.1679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [BaNa2CdI6]
_chemical_formula_sum '[Ba3 Na6 Cd3 I18]'
_cell_volume [1276.2247]
_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
[
  Ba  Ba0  3  0.0000  0.0000  0.8163  1.0
  Na  Na1  3  0.0000  0.0000  0.0088  1.0
  Na  Na2  3  0.0000  0.0000  0.5164  1.0
  Cd  Cd3  3  0.0000  0.0000  0.3230  1.0
  I  I4  9  0.0198  0.3386  0.9202  1.0
  I  I5  9  0.0540  0.6908  0.0788  1.0
]