data_GaHg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.48
_cell_length_b   10.48
_cell_length_c   10.48
_cell_angle_alpha   17.34
_cell_angle_beta   17.34
_cell_angle_gamma   17.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHg2Ge
_chemical_formula_sum   'Ga1 Hg2 Ge1'
_cell_volume   89.13
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.0  0.21  1.0
  Hg  Hg3  1  0.0  0.0  0.74  1.0
  Ge  Ge1  1  0.0  0.0  0.47  1.0

data_GaHg2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.47
_cell_length_b   3.16
_cell_length_c   10.48
_cell_angle_alpha   90.0
_cell_angle_beta   100.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaHg2Ge
_chemical_formula_sum   'Ga2 Hg4 Ge2'
_cell_volume   178.26
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ga  Ga0  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.0  0.0  0.26  1.0
  Hg  Hg2  2  0.0  0.0  0.79  1.0
  Ge  Ge3  2  0.0  0.0  0.53  1.0

Ga Hg Hg Ge
Ga Hg Hg Ge 0 1 o o o 0 2 o o - 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
Hg2GaGe crystallizes in the monoclinic Cm space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted single-bond geometry to one Ga(1) and one Ge(1) atom. The Hg(1)-Ga(1) bond length is 2.21 Å. The Hg(1)-Ge(1) bond length is 2.76 Å. In the second Hg site, Hg(2) is bonded in a 8-coordinate geometry to six equivalent Hg(2), one Ga(1), and one Ge(1) atom. All Hg(2)-Hg(2) bond lengths are 3.16 Å. The Hg(2)-Ga(1) bond length is 2.74 Å. The Hg(2)-Ge(1) bond length is 2.76 Å. Ga(1) is bonded in a distorted linear geometry to one Hg(1) and one Hg(2) atom. Ge(1) is bonded in a linear geometry to one Hg(1) and one Hg(2) atom.