data_Hg2GeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.83
_cell_length_b   9.83
_cell_length_c   9.83
_cell_angle_alpha   18.03
_cell_angle_beta   18.03
_cell_angle_gamma   18.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2GeMo
_chemical_formula_sum   'Hg2 Ge1 Mo1'
_cell_volume   79.46
_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  Hg1  1  0.0  0.0  0.85  1.0
  Hg  Hg2  1  0.0  0.0  0.16  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.5  1.0

data_Hg2GeMo
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   5.34
_cell_length_b   3.08
_cell_length_c   9.83
_cell_angle_alpha   90.0
_cell_angle_beta   100.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   Hg2GeMo
_chemical_formula_sum   'Hg4 Ge2 Mo2'
_cell_volume   158.92
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  Hg  Hg0  4  0.0  0.0  0.15  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.0  0.0  0.5  1.0

Hg Hg Ge Mo
MoHg2Ge crystallizes in the monoclinic Cm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to six Mo(1,1); one Hg(1); and one Hg(2) atom to form a mixture of corner and edge-sharing MoHg2Mo6 hexagonal bipyramids. All Mo(1)-Mo(1,1) bond lengths are 3.08 Å. The Mo(1)-Hg(1) bond length is 3.37 Å. The Mo(1)-Hg(2) bond length is 3.37 Å. In the second Mo site, Mo(1) is bonded to six Mo(1,1); one Hg(1); and one Hg(2) atom to form a mixture of corner and edge-sharing MoHg2Mo6 hexagonal bipyramids. Both Mo(1)-Mo(1) bond lengths are 3.08 Å. The Mo(1)-Hg(1) bond length is 3.37 Å. The Mo(1)-Hg(2) bond length is 3.37 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a single-bond geometry to one Mo(1) and one Ge(1) atom. The Hg(1)-Ge(1) bond length is 1.51 Å. In the second Hg site, Hg(2) is bonded in a single-bond geometry to one Mo(1) and one Ge(1) atom. The Hg(2)-Ge(1) bond length is 1.59 Å. Ge(1) is bonded in a linear geometry to one Hg(1) and one Hg(2) atom.