data_[K12Cd12Hg8]
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 [Cmcm]
_cell_length_a [5.2016]
_cell_length_b [12.2599]
_cell_length_c [17.4008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [K3Cd3Hg2]
_chemical_formula_sum '[K12 Cd12 Hg8]'
_cell_volume [1109.6679]
_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  8  0.0000  0.0878  0.6081  1
  K  K1  4  0.0000  0.3831  0.7500  1
  Cd  Cd2  8  0.0000  0.3821  0.5338  1
  Cd  Cd3  4  0.0000  0.3206  0.2500  1
  Hg  Hg4  8  0.0000  0.2071  0.0974  1
]