data_Hg2GeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   5.34
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2GeBi
_chemical_formula_sum   'Hg2 Ge1 Bi1'
_cell_volume   104.06
_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
  Hg  Hg2  1  0.0  0.67  0.74  1.0
  Hg  Hg3  1  0.78  0.67  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.78  0.0  0.74  1.0

data_Hg2GeBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   5.34
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2GeBi
_chemical_formula_sum   'Hg2 Ge1 Bi1'
_cell_volume   104.06
_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
  Hg  Hg0  1  0.0  0.67  0.74  1.0
  Hg  Hg1  1  0.78  0.67  0.0  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.78  0.0  0.74  1.0

Hg Hg Ge Bi
Hg Hg Ge Bi 0 3 - + o 0 1 - o + 1 2 + + o 2 3 - o - 
Hg2GeBi is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Hg2GeBi cluster. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 2-coordinate geometry to one Hg(2) and one Bi(1) atom. The Hg(1)-Hg(2) bond length is 1.65 Å. The Hg(1)-Bi(1) bond length is 1.92 Å. In the second Hg site, Hg(2) is bonded in a 2-coordinate geometry to one Hg(1) and one Ge(1) atom. The Hg(2)-Ge(1) bond length is 1.92 Å. Ge(1) is bonded in a 2-coordinate geometry to one Hg(2) and one Bi(1) atom. The Ge(1)-Bi(1) bond length is 1.65 Å. Bi(1) is bonded in a 2-coordinate geometry to one Hg(1) and one Ge(1) atom.