data_[Rb6Ba3Cd3I18]
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
  Cd  1.6900  1.5500  1.0900
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.8659]
_cell_length_b [8.8659]
_cell_length_c [21.9911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Rb2BaCdI6]
_chemical_formula_sum '[Rb6 Ba3 Cd3 I18]'
_cell_volume [1496.9893]
_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  0.4621  1.0
  Rb  Rb1  3  0.0000  0.0000  0.9627  1.0
  Ba  Ba2  3  0.0000  0.0000  0.1819  1.0
  Cd  Cd3  3  0.0000  0.0000  0.6806  1.0
  I  I4  9  0.0163  0.4163  0.4208  1.0
  I  I5  9  0.0887  0.7233  0.2629  1.0
]