data_[K4Cd4Hg12]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.6733]
_cell_length_b [7.6733]
_cell_length_c [13.5750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [KCdHg3]
_chemical_formula_sum '[K4 Cd4 Hg12]'
_cell_volume [692.2031]
_cell_formula_units_Z [4]
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  2  0.0000  0.0000  0.0000  1.0
  K  K1  2  0.3333  0.6667  0.7500  1.0
  Cd  Cd2  4  0.3333  0.6667  0.3593  1.0
  Hg  Hg3  6  0.0000  0.5000  0.0000  1.0
  Hg  Hg4  6  0.1319  0.8681  0.2500  1.0
]