data_[Hg4Pb8O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2014]
_cell_length_b [5.5378]
_cell_length_c [7.8480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HgPb2O3]
_chemical_formula_sum '[Hg4 Pb8 O12]'
_cell_volume [469.0865]
_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
[
  Hg  Hg0  4  0.0000  0.0039  0.7500  1.0
  Pb  Pb1  8  0.1619  0.4795  0.0537  1.0
  O  O2  8  0.1622  0.0572  0.0114  1.0
  O  O3  4  0.0000  0.4618  0.2500  1.0
]