data_TlIrPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.72
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIrPb2
_chemical_formula_sum   'Tl1 Ir1 Pb2'
_cell_volume   101.5
_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  Tl3  1  0.67  0.86  0.44  1.0
  Ir  Ir0  1  0.0  0.0  0.24  1.0
  Pb  Pb1  1  0.67  0.86  0.63  1.0
  Pb  Pb2  1  0.0  0.0  0.16  1.0

data_TlIrPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   3.72
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIrPb2
_chemical_formula_sum   'Tl1 Ir1 Pb2'
_cell_volume   101.5
_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  0.67  0.86  0.44  1.0
  Ir  Ir1  1  0.0  0.0  0.24  1.0
  Pb  Pb2  1  0.0  0.0  0.16  1.0
  Pb  Pb3  1  0.67  0.86  0.63  1.0

Tl Ir Pb Pb
Tl Ir Pb Pb 0 2 o o o 1 3 o o o 
IrTlPb2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one IrTlPb2 cluster. Ir(1) is bonded in a 2-coordinate geometry to one Tl(1) and one Pb(2) atom. The Ir(1)-Tl(1) bond length is 2.06 Å. The Ir(1)-Pb(2) bond length is 0.61 Å. Tl(1) is bonded in a 2-coordinate geometry to one Ir(1) and one Pb(1) atom. The Tl(1)-Pb(1) bond length is 1.59 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a single-bond geometry to one Tl(1) atom. In the second Pb site, Pb(2) is bonded in a single-bond geometry to one Ir(1) atom.