data_TaHg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   10.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHg2Ge
_chemical_formula_sum   'Ta1 Hg2 Ge1'
_cell_volume   86.15
_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  0.85  0.0  0.89  1.0
  Hg  Hg1  1  0.85  0.0  0.1  1.0
  Hg  Hg2  1  0.0  0.0  0.17  1.0
  Ge  Ge0  1  0.0  0.0  0.88  1.0

data_TaHg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   10.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHg2Ge
_chemical_formula_sum   'Ta1 Hg2 Ge1'
_cell_volume   86.15
_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  0.85  0.0  0.89  1.0
  Hg  Hg1  1  0.0  0.0  0.17  1.0
  Hg  Hg2  1  0.85  0.0  0.1  1.0
  Ge  Ge3  1  0.0  0.0  0.88  1.0

Ta Hg Hg Ge
TaHg2Ge crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TaHg2Ge cluster. Ta(1) is bonded in a 1-coordinate geometry to one Hg(1) and one Ge(1) atom. The Ta(1)-Hg(1) bond length is 2.15 Å. The Ta(1)-Ge(1) bond length is 0.46 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted bent 150 degrees geometry to one Ta(1) and one Hg(2) atom. The Hg(1)-Hg(2) bond length is 0.79 Å. In the second Hg site, Hg(2) is bonded in a single-bond geometry to one Hg(1) atom. Ge(1) is bonded in a single-bond geometry to one Ta(1) atom.