data_[Tl1Hg2Pb1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4887]
_cell_length_b [7.0468]
_cell_length_c [8.4734]
_cell_angle_alpha [96.0832]
_cell_angle_beta [98.2049]
_cell_angle_gamma [90.6192]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlHg2PbCl8]
_chemical_formula_sum '[Tl1 Hg2 Pb1 Cl8]'
_cell_volume [381.1865]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Hg  Hg1  2  0.4929  0.4926  0.2558  1
  Pb  Pb2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  2  0.2369  0.8411  0.2671  1
  Cl  Cl4  2  0.2428  0.8454  0.7582  1
  Cl  Cl5  2  0.2626  0.3595  0.0216  1
  Cl  Cl6  2  0.2674  0.3605  0.5207  1
]