data_[Tl4Hg2Pb3]
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 [P3m1]
_cell_length_a [3.5785]
_cell_length_b [3.5785]
_cell_length_c [25.1774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tl4Hg2Pb3]
_chemical_formula_sum '[Tl4 Hg2 Pb3]'
_cell_volume [279.2207]
_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  0.5682  1.0
  Tl  Tl1  1  0.0000  0.0000  0.7920  1.0
  Tl  Tl2  1  0.3333  0.6667  0.2293  1.0
  Tl  Tl3  1  0.3333  0.6667  0.4540  1.0
  Hg  Hg4  1  0.0000  0.0000  0.1259  1.0
  Hg  Hg5  1  0.0000  0.0000  0.9112  1.0
  Pb  Pb6  1  0.0000  0.0000  0.3422  1.0
  Pb  Pb7  1  0.3333  0.6667  0.0184  1.0
  Pb  Pb8  1  0.3333  0.6667  0.6816  1.0
]