data_TaHg2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   151.54
_cell_angle_beta   131.16
_cell_angle_gamma   57.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHg2Pb
_chemical_formula_sum   'Ta1 Hg2 Pb1'
_cell_volume   92.21
_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  0.0  0.63  0.07  1.0
  Hg  Hg1  1  0.57  0.0  0.51  1.0
  Pb  Pb2  1  0.0  0.0  0.59  1.0

data_TaHg2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.27
_cell_length_c   6.37
_cell_angle_alpha   114.42
_cell_angle_beta   104.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHg2Pb
_chemical_formula_sum   'Ta1 Hg2 Pb1'
_cell_volume   92.21
_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  0.51  0.95  1.0
  Hg  Hg2  1  0.37  0.44  0.44  1.0
  Pb  Pb3  1  0.0  0.59  0.59  1.0

Ta Hg Hg Pb
TaHg2Pb crystallizes in the triclinic P1 space group. Ta(1) is bonded in a 4-coordinate geometry to one Hg(1), two equivalent Hg(2), and one Pb(1) atom. The Ta(1)-Hg(1) bond length is 2.74 Å. There is one shorter (2.44 Å) and one longer (2.86 Å) Ta(1)-Hg(2) bond length. The Ta(1)-Pb(1) bond length is 2.64 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Pb(1) atoms. There is one shorter (1.66 Å) and one longer (1.98 Å) Hg(1)-Pb(1) bond length. In the second Hg site, Hg(2) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one Pb(1) atom. The Hg(2)-Pb(1) bond length is 2.48 Å. Pb(1) is bonded in a 4-coordinate geometry to one Ta(1), one Hg(2), and two equivalent Hg(1) atoms.