data_[Tl4Hg8Pb40]
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 [Fmmm]
_cell_length_a [6.5345]
_cell_length_b [15.5540]
_cell_length_c [17.0259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tl(HgPb5)2]
_chemical_formula_sum '[Tl4 Hg8 Pb40]'
_cell_volume [1730.4596]
_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  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg1  8  0.2500  0.0000  0.2500  1.0
  Pb  Pb2  16  0.0000  0.1088  0.3854  1.0
  Pb  Pb3  16  0.0000  0.1793  0.1766  1.0
  Pb  Pb4  8  0.2500  0.2500  0.0000  1.0
]