data_LaHf2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.83
_cell_angle_alpha   102.52
_cell_angle_beta   102.52
_cell_angle_gamma   33.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHf2Pb
_chemical_formula_sum   'La1 Hf2 Pb1'
_cell_volume   103.46
_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
  La  La2  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.99  0.0  0.56  1.0
  Hf  Hf1  1  0.67  0.0  0.13  1.0
  Pb  Pb3  1  0.83  0.0  0.84  1.0

data_LaHf2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.73
_cell_length_c   5.83
_cell_angle_alpha   102.52
_cell_angle_beta   90.0
_cell_angle_gamma   106.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHf2Pb
_chemical_formula_sum   'La1 Hf2 Pb1'
_cell_volume   103.46
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.01  0.44  1.0
  Hf  Hf2  1  0.0  0.33  0.87  1.0
  Pb  Pb3  1  0.0  0.17  0.16  1.0

La Hf Hf Pb
LaHf2Pb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LaHf2Pb cluster. La(1) is bonded in a single-bond geometry to one Pb(1) atom. The La(1)-Pb(1) bond length is 1.20 Å. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a single-bond geometry to one Pb(1) atom. The Hf(1)-Pb(1) bond length is 2.06 Å. In the second Hf site, Hf(2) is bonded in a 1-coordinate geometry to one Pb(1) atom. The Hf(2)-Pb(1) bond length is 2.06 Å. Pb(1) is bonded in a distorted single-bond geometry to one La(1), one Hf(1), and one Hf(2) atom.