data_HfCd2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   5.17
_cell_angle_alpha   112.28
_cell_angle_beta   112.28
_cell_angle_gamma   29.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2Pb
_chemical_formula_sum   'Hf1 Cd2 Pb1'
_cell_volume   94.86
_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  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.52  0.0  0.12  1.0
  Cd  Cd1  1  0.7  0.0  0.64  1.0
  Pb  Pb3  1  0.11  0.0  0.38  1.0

data_HfCd2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   5.17
_cell_length_c   6.34
_cell_angle_alpha   112.28
_cell_angle_beta   104.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2Pb
_chemical_formula_sum   'Hf1 Cd2 Pb1'
_cell_volume   94.86
_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  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.12  0.52  1.0
  Cd  Cd2  1  0.0  0.64  0.7  1.0
  Pb  Pb3  1  0.0  0.38  0.11  1.0

Hf Cd Cd Pb
Hf Cd Cd Pb 0 2 - o - 0 3 o o o 0 1 o o o 0 1 - o o 1 3 o o o 1 3 + o o 1 1 + - o 1 2 o o - 1 2 o o o 
HfCd2Pb crystallizes in the triclinic P1 space group. Hf(1) is bonded in a distorted bent 150 degrees geometry to one Cd(2), two equivalent Cd(1), and one Pb(1) atom. The Hf(1)-Cd(2) bond length is 2.10 Å. There is one shorter (3.14 Å) and one longer (3.30 Å) Hf(1)-Cd(1) bond length. The Hf(1)-Pb(1) bond length is 1.81 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Cd(1), two equivalent Cd(2), and two equivalent Pb(1) atoms. Both Cd(1)-Cd(1) bond lengths are 3.25 Å. There is one shorter (2.51 Å) and one longer (3.06 Å) Cd(1)-Cd(2) bond length. There is one shorter (3.37 Å) and one longer (3.45 Å) Cd(1)-Pb(1) bond length. In the second Cd site, Cd(2) is bonded in a distorted single-bond geometry to one Hf(1) and two equivalent Cd(1) atoms. Pb(1) is bonded in a single-bond geometry to one Hf(1) and two equivalent Cd(1) atoms.