data_[Cd6Hg18Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.1443]
_cell_length_b [8.1443]
_cell_length_c [13.4647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Cd2Hg6Pb]
_chemical_formula_sum '[Cd6 Hg18 Pb3]'
_cell_volume [773.4529]
_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
[
  Cd  Cd0  3  0.0000  0.0000  0.2524  1.0
  Cd  Cd1  3  0.0000  0.0000  0.4728  1.0
  Hg  Hg2  9  0.0356  0.7723  0.0694  1.0
  Hg  Hg3  9  0.0740  0.3810  0.5615  1.0
  Pb  Pb4  3  0.0000  0.0000  0.7164  1.0
]