data_TaCdHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.5
_cell_angle_alpha   115.58
_cell_angle_beta   115.58
_cell_angle_gamma   28.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCdHg2
_chemical_formula_sum   'Ta1 Cd1 Hg2'
_cell_volume   83.24
_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  0.33  0.0  0.95  1.0
  Cd  Cd0  1  0.42  0.0  0.86  1.0
  Hg  Hg1  1  0.81  0.0  0.39  1.0
  Hg  Hg2  1  0.17  0.0  0.18  1.0

data_TaCdHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   5.5
_cell_length_c   5.98
_cell_angle_alpha   115.58
_cell_angle_beta   104.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCdHg2
_chemical_formula_sum   'Ta1 Cd1 Hg2'
_cell_volume   83.24
_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  0.95  0.33  1.0
  Cd  Cd1  1  0.0  0.86  0.42  1.0
  Hg  Hg2  1  0.0  0.18  0.17  1.0
  Hg  Hg3  1  0.0  0.39  0.81  1.0

Ta Cd Hg Hg
TaHg2Cd crystallizes in the triclinic P1 space group. Ta(1) is bonded in a distorted linear geometry to one Hg(2), two equivalent Hg(1), and one Cd(1) atom. The Ta(1)-Hg(2) bond length is 1.88 Å. There is one shorter (2.88 Å) and one longer (3.27 Å) Ta(1)-Hg(1) bond length. The Ta(1)-Cd(1) bond length is 0.91 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted hexagonal planar geometry to two equivalent Ta(1), one Hg(2), two equivalent Hg(1), and one Cd(1) atom. The Hg(1)-Hg(2) bond length is 2.85 Å. Both Hg(1)-Hg(1) bond lengths are 2.91 Å. The Hg(1)-Cd(1) bond length is 2.85 Å. In the second Hg site, Hg(2) is bonded in a single-bond geometry to one Ta(1) and one Hg(1) atom. Cd(1) is bonded in a single-bond geometry to one Ta(1) and one Hg(1) atom.