data_Hg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.55
_cell_length_b   13.55
_cell_length_c   13.55
_cell_angle_alpha   166.17
_cell_angle_beta   166.17
_cell_angle_gamma   19.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Ge
_chemical_formula_sum   'Hg4 Ge2'
_cell_volume   142.17
_cell_formula_units_Z   2
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  0.0  0.41  1.0
  Hg  Hg3  1  0.63  0.0  0.62  1.0
  Hg  Hg4  1  0.0  0.0  0.3  1.0
  Hg  Hg5  1  0.63  0.0  0.73  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.63  0.68  1.0

data_Hg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   13.55
_cell_angle_alpha   96.92
_cell_angle_beta   96.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Ge
_chemical_formula_sum   'Hg4 Ge2'
_cell_volume   142.17
_cell_formula_units_Z   2
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  0.27  0.0  0.9  1.0
  Hg  Hg1  1  0.38  0.0  0.01  1.0
  Hg  Hg2  1  0.59  0.0  0.59  1.0
  Hg  Hg3  1  0.7  0.0  0.7  1.0
  Ge  Ge4  1  0.0  0.0  0.0  1.0
  Ge  Ge5  1  0.96  0.63  0.96  1.0

Hg Hg Hg Hg Ge Ge
Hg Hg Hg Hg Ge Ge 0 2 o o o 1 4 + o + 1 3 o o o 3 5 + - o 3 4 + o + 4 5 o - - 
HgHgGe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Hg cluster and one HgGe cluster. In the Hg cluster, there are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a single-bond geometry to one Hg(3) atom. The Hg(1)-Hg(3) bond length is 1.52 Å. In the second Hg site, Hg(3) is bonded in a single-bond geometry to one Hg(1) atom. In the HgGe cluster, there are two inequivalent Hg sites. In the first Hg site, Hg(2) is bonded in a 2-coordinate geometry to one Hg(4) and one Ge(1) atom. The Hg(2)-Hg(4) bond length is 1.52 Å. The Hg(2)-Ge(1) bond length is 1.23 Å. In the second Hg site, Hg(4) is bonded in a 1-coordinate geometry to one Hg(2) atom. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 1-coordinate geometry to one Hg(2) and one Ge(2) atom. The Ge(1)-Ge(2) bond length is 1.28 Å. In the second Ge site, Ge(2) is bonded in a distorted single-bond geometry to one Ge(1) atom.