data_[Ba3Cd3In6Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8013]
_cell_length_b [7.8013]
_cell_length_c [19.4574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [BaCd(InCl3)2]
_chemical_formula_sum '[Ba3 Cd3 In6 Cl18]'
_cell_volume [1025.5310]
_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  0.8144  1.0
  Cd  Cd1  3  0.0000  0.0000  0.3165  1.0
  In  In2  3  0.0000  0.0000  0.0305  1.0
  In  In3  3  0.0000  0.0000  0.5276  1.0
  Cl  Cl4  9  0.0376  0.7524  0.4079  1.0
  Cl  Cl5  9  0.0775  0.3425  0.9162  1.0
]