data_[Th2Hg8Pb14]
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 [C2/m]
_cell_length_a [13.3714]
_cell_length_b [6.4110]
_cell_length_c [9.8138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ThHg4Pb7]
_chemical_formula_sum '[Th2 Hg8 Pb14]'
_cell_volume [736.2654]
_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  0.0000  0.0000  0.0000  1
  Hg  Hg1  4  0.0039  0.5000  0.6708  1
  Hg  Hg2  4  0.2375  0.5000  0.3406  1
  Pb  Pb3  4  0.0110  0.0000  0.3492  1
  Pb  Pb4  4  0.2390  0.5000  0.6669  1
  Pb  Pb5  4  0.2463  0.0000  0.9708  1
  Pb  Pb6  2  0.0000  0.5000  0.0000  1
]