data_[K4Hg2Pb12]
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 [13.0001]
_cell_length_b [6.7900]
_cell_length_c [7.6536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2HgPb6]
_chemical_formula_sum '[K4 Hg2 Pb12]'
_cell_volume [650.0523]
_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  0.1352  0.5000  0.8570  1
  Hg  Hg1  2  0.0000  0.0000  0.0000  1
  Pb  Pb2  8  0.1457  0.2560  0.3255  1
  Pb  Pb3  4  0.1172  0.0000  0.6605  1
]