data_ZrTi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.03
_cell_angle_alpha   112.04
_cell_angle_beta   112.04
_cell_angle_gamma   33.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTi2Pb
_chemical_formula_sum   'Zr1 Ti2 Pb1'
_cell_volume   82.01
_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
  Zr  Zr3  1  0.51  0.0  0.41  1.0
  Ti  Ti1  1  0.79  0.0  0.06  1.0
  Ti  Ti2  1  0.41  0.0  0.45  1.0
  Pb  Pb0  1  0.64  0.0  0.03  1.0

data_ZrTi2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.03
_cell_length_c   5.69
_cell_angle_alpha   112.04
_cell_angle_beta   106.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTi2Pb
_chemical_formula_sum   'Zr1 Ti2 Pb1'
_cell_volume   82.01
_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
  Zr  Zr0  1  0.0  0.41  0.51  1.0
  Ti  Ti1  1  0.0  0.06  0.79  1.0
  Ti  Ti2  1  0.0  0.45  0.41  1.0
  Pb  Pb3  1  0.0  0.03  0.64  1.0

Zr Ti Ti Pb
Zr Ti Ti Pb 0 2 o o o 1 3 o o o 
ZrTi2Pb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrTi2Pb cluster. Zr(1) is bonded in a distorted bent 150 degrees geometry to one Ti(2) and one Pb(1) atom. The Zr(1)-Ti(2) bond length is 0.68 Å. The Zr(1)-Pb(1) bond length is 2.33 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a single-bond geometry to one Pb(1) atom. The Ti(1)-Pb(1) bond length is 0.82 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one Zr(1) atom. Pb(1) is bonded in a distorted single-bond geometry to one Zr(1) and one Ti(1) atom.