data_HfGe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   4.74
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   104.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGe2Pb
_chemical_formula_sum   'Hf1 Ge2 Pb1'
_cell_volume   86.82
_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
  Hf  Hf2  1  0.14  0.0  0.64  1.0
  Ge  Ge0  1  0.94  0.0  0.15  1.0
  Ge  Ge1  1  0.09  0.37  0.47  1.0
  Pb  Pb3  1  0.64  0.37  0.28  1.0

data_HfGe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.74
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   104.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGe2Pb
_chemical_formula_sum   'Hf1 Ge2 Pb1'
_cell_volume   86.82
_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
  Hf  Hf0  1  0.14  0.0  0.64  1.0
  Ge  Ge1  1  0.09  0.37  0.47  1.0
  Ge  Ge2  1  0.94  0.0  0.15  1.0
  Pb  Pb3  1  0.64  0.37  0.28  1.0

Hf Ge Ge Pb
Hf Ge Ge Pb 0 2 o o o 0 1 - o o 1 3 o o o 1 3 + o o 1 2 + o o 2 3 - o o 
HfPbGe2 crystallizes in the triclinic P1 space group. Hf(1) is bonded in a distorted single-bond geometry to two equivalent Ge(2) and three equivalent Ge(1) atoms. There is one shorter (2.00 Å) and one longer (3.14 Å) Hf(1)-Ge(2) bond length. There are a spread of Hf(1)-Ge(1) bond distances ranging from 2.76-3.44 Å. Pb(1) is bonded in a 1-coordinate geometry to two equivalent Ge(2) and three equivalent Ge(1) atoms. There is one shorter (1.62 Å) and one longer (2.31 Å) Pb(1)-Ge(2) bond length. There are a spread of Pb(1)-Ge(1) bond distances ranging from 2.21-3.27 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 7-coordinate geometry to three equivalent Hf(1), three equivalent Pb(1), and one Ge(2) atom. The Ge(1)-Ge(2) bond length is 2.51 Å. In the second Ge site, Ge(2) is bonded in a 4-coordinate geometry to two equivalent Hf(1), two equivalent Pb(1), and one Ge(1) atom.