data_TlNi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.33
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   102.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNi2Pb
_chemical_formula_sum   'Tl1 Ni2 Pb1'
_cell_volume   73.9
_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  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.64  0.67  0.37  1.0
  Ni  Ni1  1  0.26  0.67  0.25  1.0
  Pb  Pb2  1  0.28  0.0  0.31  1.0

data_TlNi2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   3.35
_cell_length_c   6.78
_cell_angle_alpha   102.33
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNi2Pb
_chemical_formula_sum   'Tl1 Ni2 Pb1'
_cell_volume   73.9
_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
  Ni  Ni1  1  0.33  0.36  0.63  1.0
  Ni  Ni2  1  0.33  0.74  0.75  1.0
  Pb  Pb3  1  0.0  0.72  0.69  1.0

Tl Ni Ni Pb
Ni2TlPb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ni2TlPb cluster. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to one Ni(2) and one Pb(1) atom. The Ni(1)-Ni(2) bond length is 1.35 Å. The Ni(1)-Pb(1) bond length is 1.63 Å. In the second Ni site, Ni(2) is bonded in a distorted single-bond geometry to one Ni(1), one Tl(1), and one Pb(1) atom. The Ni(2)-Tl(1) bond length is 2.07 Å. The Ni(2)-Pb(1) bond length is 1.19 Å. Tl(1) is bonded in a 2-coordinate geometry to one Ni(2) and one Pb(1) atom. The Tl(1)-Pb(1) bond length is 2.13 Å. Pb(1) is bonded in a single-bond geometry to one Ni(1), one Ni(2), and one Tl(1) atom.