data_Tl3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   11.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Pb
_chemical_formula_sum   'Tl3 Pb1'
_cell_volume   123.84
_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  Tl1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.76  0.02  0.61  1.0
  Tl  Tl3  1  0.76  0.02  0.88  1.0
  Pb  Pb0  1  0.0  0.0  0.75  1.0

data_Tl3Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   11.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Pb
_chemical_formula_sum   'Tl3 Pb1'
_cell_volume   123.84
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.76  0.02  0.61  1.0
  Tl  Tl2  1  0.76  0.02  0.88  1.0
  Pb  Pb3  1  0.0  0.0  0.75  1.0

Tl Tl Tl Pb
PbTl3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one PbTl3 cluster. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a single-bond geometry to one Tl(3) atom. The Tl(1)-Tl(3) bond length is 1.64 Å. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one Pb(1) atom. The Tl(2)-Pb(1) bond length is 1.75 Å. In the third Tl site, Tl(3) is bonded in a distorted single-bond geometry to one Tl(1) and one Pb(1) atom. The Tl(3)-Pb(1) bond length is 1.75 Å. Pb(1) is bonded in a bent 120 degrees geometry to one Tl(2) and one Tl(3) atom.