data_HfTl2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   5.5
_cell_angle_alpha   107.69
_cell_angle_beta   107.69
_cell_angle_gamma   30.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTl2Pb
_chemical_formula_sum   'Hf1 Tl2 Pb1'
_cell_volume   105.01
_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
  Tl  Tl2  1  0.87  0.0  1.0  1.0
  Tl  Tl3  1  0.47  0.0  0.22  1.0
  Pb  Pb1  1  0.17  0.0  0.61  1.0

data_HfTl2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   5.5
_cell_length_c   6.26
_cell_angle_alpha   107.69
_cell_angle_beta   105.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTl2Pb
_chemical_formula_sum   'Hf1 Tl2 Pb1'
_cell_volume   105.01
_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
  Tl  Tl1  1  0.0  0.22  0.47  1.0
  Tl  Tl2  1  0.0  1.0  0.87  1.0
  Pb  Pb3  1  0.0  0.61  0.17  1.0

Hf Tl Tl Pb
HfTl2Pb crystallizes in the triclinic P1 space group. Hf(1) is bonded in a distorted single-bond geometry to one Tl(1), two equivalent Tl(2), and one Pb(1) atom. The Hf(1)-Tl(1) bond length is 0.80 Å. There is one shorter (2.81 Å) and one longer (3.71 Å) Hf(1)-Tl(2) bond length. The Hf(1)-Pb(1) bond length is 2.66 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a single-bond geometry to one Hf(1) and one Tl(2) atom. The Tl(1)-Tl(2) bond length is 3.15 Å. In the second Tl site, Tl(2) is bonded in a 7-coordinate geometry to two equivalent Hf(1), one Tl(1), two equivalent Tl(2), and two equivalent Pb(1) atoms. Both Tl(2)-Tl(2) bond lengths are 3.33 Å. There is one shorter (3.23 Å) and one longer (3.32 Å) Tl(2)-Pb(1) bond length. Pb(1) is bonded in a 1-coordinate geometry to one Hf(1) and two equivalent Tl(2) atoms.