data_[Tl6Hg3Pb3Cl18]
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 [R3]
_cell_length_a [7.6967]
_cell_length_b [7.6967]
_cell_length_c [19.1318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Tl2HgPbCl6]
_chemical_formula_sum '[Tl6 Hg3 Pb3 Cl18]'
_cell_volume [981.5211]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0377  1.0
  Tl  Tl1  3  0.0000  0.0000  0.5366  1.0
  Hg  Hg2  3  0.0000  0.0000  0.3152  1.0
  Pb  Pb3  3  0.0000  0.0000  0.8155  1.0
  Cl  Cl4  9  0.0012  0.4159  0.5783  1.0
  Cl  Cl5  9  0.0239  0.5980  0.0734  1.0
]