data_[Tl8Hg8Pb20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [12.9266]
_cell_length_b [8.2377]
_cell_length_c [10.6832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Tl2Hg2Pb5]
_chemical_formula_sum '[Tl8 Hg8 Pb20]'
_cell_volume [1137.6053]
_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
[
  Tl  Tl0  8  0.1151  0.1010  0.4917  1
  Hg  Hg1  4  0.0000  0.0000  0.0420  1
  Hg  Hg2  4  0.2500  0.1127  0.1654  1
  Pb  Pb3  8  0.0902  0.6880  0.7710  1
  Pb  Pb4  8  0.1247  0.0811  0.7978  1
  Pb  Pb5  4  0.2500  0.7149  0.5074  1
]