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 [6.5016]
_cell_length_b [7.0715]
_cell_length_c [8.4833]
_cell_angle_alpha [96.1779]
_cell_angle_beta [98.3812]
_cell_angle_gamma [90.5725]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlHg2PbCl8]
_chemical_formula_sum '[Tl1 Hg2 Pb1 Cl8]'
_cell_volume [383.4934]
_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  1.0
  Hg  Hg1  2  0.4930  0.4927  0.2559  1.0
  Pb  Pb2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.2368  0.8412  0.2671  1.0
  Cl  Cl4  2  0.2427  0.8455  0.7584  1.0
  Cl  Cl5  2  0.2631  0.3597  0.0220  1.0
  Cl  Cl6  2  0.2678  0.3610  0.5210  1.0
]