data_[Tl2Hg10Pb16]
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 [I-4]
_cell_length_a [12.5366]
_cell_length_b [12.5366]
_cell_length_c [5.4063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [TlHg5Pb8]
_chemical_formula_sum '[Tl2 Hg10 Pb16]'
_cell_volume [849.6838]
_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  0.5000  0.7500  1
  Hg  Hg1  8  0.1418  0.6631  0.4761  1
  Hg  Hg2  2  0.0000  0.0000  0.5000  1
  Pb  Pb3  8  0.0714  0.8171  0.9964  1
  Pb  Pb4  8  0.0976  0.2404  0.5078  1
]