data_[Th2Hg2Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.5028]
_cell_length_b [7.9677]
_cell_length_c [11.5801]
_cell_angle_alpha [107.1992]
_cell_angle_beta [92.6978]
_cell_angle_gamma [91.9618]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ThHgPb3]
_chemical_formula_sum '[Th2 Hg2 Pb6]'
_cell_volume [308.0008]
_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
[
  Th  Th0  2  0.4963  0.5721  0.6633  1
  Hg  Hg1  2  0.0059  0.6589  0.1988  1
  Pb  Pb2  2  0.0186  0.9506  0.8036  1
  Pb  Pb3  2  0.0367  0.8014  0.4972  1
  Pb  Pb4  2  0.4472  0.7171  0.9721  1
]