data_[K6Ba3Cd3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.0866]
_cell_length_b [8.0866]
_cell_length_c [20.6730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2BaCdBr6]
_chemical_formula_sum '[K6 Ba3 Cd3 Br18]'
_cell_volume [1170.7561]
_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
[
  K  K0  3  0.0000  0.0000  0.0286  1.0
  K  K1  3  0.0000  0.0000  0.5314  1.0
  Ba  Ba2  3  0.0000  0.0000  0.8164  1.0
  Cd  Cd3  3  0.0000  0.0000  0.3196  1.0
  Br  Br4  9  0.0341  0.7409  0.4063  1.0
  Br  Br5  9  0.0656  0.3452  0.9156  1.0
]