data_[Tl2Hg16Pb4]
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 [C2/m]
_cell_length_a [16.7599]
_cell_length_b [6.3758]
_cell_length_c [6.4896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl(Hg4Pb)2]
_chemical_formula_sum '[Tl2 Hg16 Pb4]'
_cell_volume [642.4541]
_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
[
  Tl  Tl0  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg1  8  0.1598  0.2648  0.3332  1.0
  Hg  Hg2  4  0.0249  0.5000  0.7633  1.0
  Hg  Hg3  4  0.0967  0.0000  0.6567  1.0
  Pb  Pb4  4  0.2295  0.5000  0.9242  1.0
]