data_[K3Cd3Hg6Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.4429]
_cell_length_b [7.4429]
_cell_length_c [21.1924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KCd(HgBr3)2]
_chemical_formula_sum '[K3 Cd3 Hg6 Br18]'
_cell_volume [1016.7163]
_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  0.4943  1.0
  Cd  Cd1  3  0.0000  0.0000  0.0122  1.0
  Hg  Hg2  3  0.0000  0.0000  0.2028  1.0
  Hg  Hg3  3  0.0000  0.0000  0.6885  1.0
  Br  Br4  9  0.0016  0.6545  0.2767  1.0
  Br  Br5  9  0.0737  0.3473  0.7644  1.0
]