data_[K16Hg4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.9284]
_cell_length_b [6.3966]
_cell_length_c [8.4795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5220]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K8Hg2Pb]
_chemical_formula_sum '[K16 Hg4 Pb2]'
_cell_volume [1121.0276]
_cell_formula_units_Z [2]
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  4  0.0263  0.0000  0.8007  1.0
  K  K1  4  0.0951  0.5000  0.4457  1.0
  K  K2  4  0.1634  0.5000  0.9626  1.0
  K  K3  4  0.1961  0.0000  0.2955  1.0
  Hg  Hg4  4  0.1776  0.0000  0.7054  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
]