data_Zr2GePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   144.83
_cell_angle_beta   130.37
_cell_angle_gamma   62.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GePb
_chemical_formula_sum   'Zr2 Ge1 Pb1'
_cell_volume   91.42
_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  Zr2  1  0.0  0.0  0.01  1.0
  Zr  Zr3  1  0.8  0.0  0.55  1.0
  Ge  Ge0  1  0.0  0.0  0.08  1.0
  Pb  Pb1  1  0.0  0.5  0.54  1.0

data_Zr2GePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   4.99
_cell_length_c   5.95
_cell_angle_alpha   114.81
_cell_angle_beta   107.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GePb
_chemical_formula_sum   'Zr2 Ge1 Pb1'
_cell_volume   91.42
_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  0.01  0.01  1.0
  Zr  Zr1  1  0.0  0.55  0.75  1.0
  Ge  Ge2  1  0.0  0.08  0.08  1.0
  Pb  Pb3  1  0.5  0.04  0.04  1.0

Zr Zr Ge Pb
Zr Zr Ge Pb 0 2 o o o 0 1 - o - 0 3 o - - 0 3 o o o 1 3 + - o 1 2 + o + 2 3 o - - 2 3 o o o 
Zr2PbGe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Zr2PbGe cluster. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a single-bond geometry to one Zr(2), one Pb(1), and one Ge(1) atom. The Zr(1)-Zr(2) bond length is 2.17 Å. The Zr(1)-Pb(1) bond length is 1.76 Å. The Zr(1)-Ge(1) bond length is 0.43 Å. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to one Zr(1) and one Pb(1) atom. The Zr(2)-Pb(1) bond length is 2.62 Å. Pb(1) is bonded in a 1-coordinate geometry to one Zr(1) and one Zr(2) atom. Ge(1) is bonded in a single-bond geometry to one Zr(1) atom.