data_[Th24Hg8Pb4]
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/c]
_cell_length_a [15.7481]
_cell_length_b [11.6827]
_cell_length_c [5.9221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Th6Hg2Pb]
_chemical_formula_sum '[Th24 Hg8 Pb4]'
_cell_volume [1073.4726]
_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
[
  Th  Th0  8  0.0579  0.3774  0.5165  1
  Th  Th1  8  0.1115  0.1274  0.8128  1
  Th  Th2  8  0.2267  0.1260  0.3507  1
  Hg  Hg3  8  0.1662  0.3750  0.0837  1
  Pb  Pb4  4  0.0000  0.1248  0.2500  1
]