data_Hg2Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04
_cell_length_b   5.79
_cell_length_c   8.8
_cell_angle_alpha   62.96
_cell_angle_beta   39.91
_cell_angle_gamma   77.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Ge3
_chemical_formula_sum   'Hg4 Ge6'
_cell_volume   228.78
_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  Hg6  1  0.18  0.62  0.33  1.0
  Hg  Hg7  1  0.45  0.12  0.33  1.0
  Hg  Hg8  1  0.59  0.8  0.94  1.0
  Hg  Hg9  1  0.04  0.94  0.94  1.0
  Ge  Ge0  1  0.02  0.63  0.22  1.0
  Ge  Ge1  1  0.62  0.11  0.22  1.0
  Ge  Ge2  1  0.42  0.42  0.61  1.0
  Ge  Ge3  1  0.21  0.32  0.61  1.0
  Ge  Ge4  1  0.82  0.37  0.22  1.0
  Ge  Ge5  1  0.41  0.69  0.39  1.0

data_Hg2Ge3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   8.04
_cell_angle_alpha   102.87
_cell_angle_beta   102.87
_cell_angle_gamma   112.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Ge3
_chemical_formula_sum   'Hg4 Ge6'
_cell_volume   228.78
_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  0.33  0.88  0.78  1.0
  Hg  Hg1  1  0.33  0.38  0.51  1.0
  Hg  Hg2  1  0.94  0.06  0.99  1.0
  Hg  Hg3  1  0.94  0.2  0.53  1.0
  Ge  Ge4  1  0.22  0.63  0.04  1.0
  Ge  Ge5  1  0.22  0.37  0.24  1.0
  Ge  Ge6  1  0.22  0.89  0.84  1.0
  Ge  Ge7  1  0.39  0.31  0.8  1.0
  Ge  Ge8  1  0.61  0.58  0.04  1.0
  Ge  Ge9  1  0.61  0.68  0.82  1.0

Hg Hg Hg Hg Ge Ge Ge Ge Ge Ge
Hg Hg Hg Hg Ge Ge Ge Ge Ge Ge 0 4 o o o 0 7 o o o 0 2 o o - 0 9 o o o 1 5 o o o 1 7 o o o 1 8 o o o 1 9 o - o 3 5 - + + 3 4 o o + 3 7 o + o 3 8 - o + 4 8 - o o 5 8 o o o 5 9 o - o 6 7 o o o 6 9 o o o 6 8 o o o 7 9 o o o 8 9 o o o 
Hg2Ge3 crystallizes in the triclinic P1 space group. There are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted rectangular see-saw-like geometry to one Hg(3), one Ge(1), one Ge(4), and one Ge(6) atom. The Hg(1)-Hg(3) bond length is 2.15 Å. The Hg(1)-Ge(1) bond length is 2.11 Å. The Hg(1)-Ge(4) bond length is 2.45 Å. The Hg(1)-Ge(6) bond length is 2.35 Å. In the second Hg site, Hg(2) is bonded in a distorted single-bond geometry to one Ge(2), one Ge(4), and one Ge(6) atom. The Hg(2)-Ge(2) bond length is 0.86 Å. The Hg(2)-Ge(4) bond length is 2.35 Å. The Hg(2)-Ge(6) bond length is 2.38 Å. In the third Hg site, Hg(3) is bonded in a 2-coordinate geometry to one Hg(1) and one Ge(6) atom. The Hg(3)-Ge(6) bond length is 2.68 Å. In the fourth Hg site, Hg(4) is bonded in a 3-coordinate geometry to one Ge(1), one Ge(2), one Ge(4), and one Ge(5) atom. The Hg(4)-Ge(1) bond length is 2.16 Å. The Hg(4)-Ge(2) bond length is 2.56 Å. The Hg(4)-Ge(4) bond length is 2.15 Å. The Hg(4)-Ge(5) bond length is 2.94 Å. There are six inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 3-coordinate geometry to one Hg(1), one Hg(4), and one Ge(5) atom. The Ge(1)-Ge(5) bond length is 2.48 Å. In the second Ge site, Ge(2) is bonded in a single-bond geometry to one Hg(2), one Hg(4), one Ge(5), and one Ge(6) atom. The Ge(2)-Ge(5) bond length is 2.43 Å. The Ge(2)-Ge(6) bond length is 2.41 Å. In the third Ge site, Ge(3) is bonded in a 3-coordinate geometry to one Ge(4), one Ge(5), and one Ge(6) atom. The Ge(3)-Ge(4) bond length is 1.96 Å. The Ge(3)-Ge(5) bond length is 2.40 Å. The Ge(3)-Ge(6) bond length is 1.97 Å. In the fourth Ge site, Ge(4) is bonded in a 5-coordinate geometry to one Hg(1), one Hg(2), one Hg(4), one Ge(3), and one Ge(6) atom. The Ge(4)-Ge(6) bond length is 1.95 Å. In the fifth Ge site, Ge(5) is bonded in a 5-coordinate geometry to one Hg(4), one Ge(1), one Ge(2), one Ge(3), and one Ge(6) atom. The Ge(5)-Ge(6) bond length is 2.94 Å. In the sixth Ge site, Ge(6) is bonded in a 6-coordinate geometry to one Hg(1), one Hg(2), one Hg(3), one Ge(2), one Ge(3), one Ge(4), and one Ge(5) atom.