data_TiZn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   149.43
_cell_angle_beta   131.89
_cell_angle_gamma   58.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZn2Pb
_chemical_formula_sum   'Ti1 Zn2 Pb1'
_cell_volume   77.58
_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
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.56  0.0  0.33  1.0
  Zn  Zn3  1  0.0  0.41  0.84  1.0
  Pb  Pb0  1  0.0  0.0  0.17  1.0

data_TiZn2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.82
_cell_length_c   5.91
_cell_angle_alpha   114.06
_cell_angle_beta   105.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZn2Pb
_chemical_formula_sum   'Ti1 Zn2 Pb1'
_cell_volume   77.58
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.16  0.57  0.57  1.0
  Zn  Zn2  1  0.23  0.67  0.23  1.0
  Pb  Pb3  1  0.83  0.83  0.83  1.0

Ti Zn Zn Pb
TiZn2Pb crystallizes in the triclinic P1 space group. Ti(1) is bonded in a single-bond geometry to two equivalent Zn(1) and one Pb(1) atom. There is one shorter (2.47 Å) and one longer (2.94 Å) Ti(1)-Zn(1) bond length. The Ti(1)-Pb(1) bond length is 0.99 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to two equivalent Ti(1), one Zn(2), and one Pb(1) atom. The Zn(1)-Zn(2) bond length is 2.33 Å. The Zn(1)-Pb(1) bond length is 2.75 Å. In the second Zn site, Zn(2) is bonded in a distorted L-shaped geometry to one Zn(1) and two equivalent Pb(1) atoms. There is one shorter (2.06 Å) and one longer (2.24 Å) Zn(2)-Pb(1) bond length. Pb(1) is bonded in a distorted single-bond geometry to one Ti(1), one Zn(1), and two equivalent Zn(2) atoms.