data_TaHg2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   5.25
_cell_angle_alpha   113.33
_cell_angle_beta   113.33
_cell_angle_gamma   28.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHg2Pb
_chemical_formula_sum   'Ta1 Hg2 Pb1'
_cell_volume   92.78
_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
  Ta  Ta3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.79  0.0  0.73  1.0
  Hg  Hg1  1  0.48  0.0  0.06  1.0
  Pb  Pb2  1  0.13  0.0  0.4  1.0

data_TaHg2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.25
_cell_length_c   6.4
_cell_angle_alpha   113.33
_cell_angle_beta   104.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHg2Pb
_chemical_formula_sum   'Ta1 Hg2 Pb1'
_cell_volume   92.78
_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
  Ta  Ta0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.06  0.48  1.0
  Hg  Hg2  1  0.0  0.73  0.79  1.0
  Pb  Pb3  1  0.0  0.4  0.13  1.0

Ta Hg Hg Pb
TaHg2Pb crystallizes in the triclinic P1 space group. Ta(1) is bonded in a distorted bent 150 degrees geometry to one Hg(1), three equivalent Hg(2), and one Pb(1) atom. The Ta(1)-Hg(1) bond length is 1.51 Å. There are a spread of Ta(1)-Hg(2) bond distances ranging from 2.93-3.70 Å. The Ta(1)-Pb(1) bond length is 1.92 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a single-bond geometry to one Ta(1) and two equivalent Hg(2) atoms. There is one shorter (3.13 Å) and one longer (3.28 Å) Hg(1)-Hg(2) bond length. In the second Hg site, Hg(2) is bonded in a 9-coordinate geometry to three equivalent Ta(1), two equivalent Hg(1), two equivalent Hg(2), and two equivalent Pb(1) atoms. Both Hg(2)-Hg(2) bond lengths are 3.12 Å. Both Hg(2)-Pb(1) bond lengths are 3.31 Å. Pb(1) is bonded in a single-bond geometry to one Ta(1) and two equivalent Hg(2) atoms.