data_Hf7Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   5.14
_cell_length_c   10.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf7Pb
_chemical_formula_sum   'Hf7 Pb1'
_cell_volume   181.07
_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  0.61  0.0  0.85  1.0
  Hf  Hf1  1  0.0  0.0  0.21  1.0
  Hf  Hf2  1  0.61  0.0  0.5  1.0
  Hf  Hf3  1  0.0  0.0  0.67  1.0
  Hf  Hf4  1  0.0  0.57  0.04  1.0
  Hf  Hf5  1  0.61  0.57  0.34  1.0
  Hf  Hf6  1  0.0  0.57  0.6  1.0
  Pb  Pb7  1  0.61  0.57  0.81  1.0

data_Hf7Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.14
_cell_length_c   10.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf7Pb
_chemical_formula_sum   'Hf7 Pb1'
_cell_volume   181.07
_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  0.21  1.0
  Hf  Hf1  1  0.0  0.0  0.67  1.0
  Hf  Hf2  1  0.0  0.57  0.04  1.0
  Hf  Hf3  1  0.0  0.57  0.6  1.0
  Hf  Hf4  1  0.61  0.0  0.5  1.0
  Hf  Hf5  1  0.61  0.0  0.85  1.0
  Hf  Hf6  1  0.61  0.57  0.34  1.0
  Pb  Pb7  1  0.61  0.57  0.81  1.0

Hf Hf Hf Hf Hf Hf Hf Pb
Hf7Pb crystallizes in the triclinic P1 space group. There are seven inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 1-coordinate geometry to one Hf(4) and one Pb(1) atom. The Hf(1)-Hf(4) bond length is 2.28 Å. The Hf(1)-Pb(1) bond length is 2.23 Å. In the second Hf site, Hf(2) is bonded in a 10-coordinate geometry to two equivalent Hf(2), two equivalent Hf(3), two equivalent Hf(5), and four equivalent Hf(6) atoms. Both Hf(2)-Hf(2) bond lengths are 3.22 Å. There is one shorter (3.39 Å) and one longer (3.71 Å) Hf(2)-Hf(3) bond length. There is one shorter (2.92 Å) and one longer (3.51 Å) Hf(2)-Hf(5) bond length. There are a spread of Hf(2)-Hf(6) bond distances ranging from 2.87-3.79 Å. In the third Hf site, Hf(3) is bonded in a 1-coordinate geometry to one Hf(4), two equivalent Hf(2), and two equivalent Hf(6) atoms. The Hf(3)-Hf(4) bond length is 2.29 Å. There is one shorter (2.84 Å) and one longer (3.45 Å) Hf(3)-Hf(6) bond length. In the fourth Hf site, Hf(4) is bonded in a 3-coordinate geometry to one Hf(1), one Hf(3), and one Hf(7) atom. The Hf(4)-Hf(7) bond length is 2.35 Å. In the fifth Hf site, Hf(5) is bonded in a 1-coordinate geometry to two equivalent Hf(2), two equivalent Hf(6), and one Pb(1) atom. There is one shorter (3.50 Å) and one longer (3.81 Å) Hf(5)-Hf(6) bond length. The Hf(5)-Pb(1) bond length is 2.73 Å. In the sixth Hf site, Hf(6) is bonded in a 12-coordinate geometry to two equivalent Hf(3), two equivalent Hf(5), two equivalent Hf(6), two equivalent Hf(7), and four equivalent Hf(2) atoms. Both Hf(6)-Hf(6) bond lengths are 3.22 Å. There is one shorter (3.14 Å) and one longer (3.49 Å) Hf(6)-Hf(7) bond length. In the seventh Hf site, Hf(7) is bonded in a 1-coordinate geometry to one Hf(4), two equivalent Hf(6), and one Pb(1) atom. The Hf(7)-Pb(1) bond length is 2.67 Å. Pb(1) is bonded in a 1-coordinate geometry to one Hf(1), one Hf(5), and one Hf(7) atom.