data_SiHg2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiHg2Au
_chemical_formula_sum   'Si1 Hg2 Au1'
_cell_volume   87.07
_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
  Si  Si3  1  0.0  0.0  0.54  1.0
  Hg  Hg1  1  0.0  0.0  0.18  1.0
  Hg  Hg2  1  0.62  0.62  0.29  1.0
  Au  Au0  1  0.62  0.62  0.85  1.0

data_SiHg2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiHg2Au
_chemical_formula_sum   'Si2 Hg4 Au2'
_cell_volume   174.14
_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
  Si  Si0  2  0.0  0.0  0.54  1.0
  Hg  Hg1  2  0.0  0.0  0.18  1.0
  Hg  Hg2  2  0.12  0.5  0.29  1.0
  Au  Au3  2  0.12  0.5  0.85  1.0

Si Hg Hg Au
AuHg2Si crystallizes in the monoclinic Cm space group. Au(1) is bonded in a 6-coordinate geometry to four equivalent Au(1), one Hg(1), and one Si(1) atom. All Au(1)-Au(1) bond lengths are 3.23 Å. The Au(1)-Hg(1) bond length is 3.25 Å. The Au(1)-Si(1) bond length is 3.11 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 1-coordinate geometry to one Au(1) and three equivalent Hg(2) atoms. There is one shorter (1.97 Å) and two longer (2.51 Å) Hg(1)-Hg(2) bond lengths. In the second Hg site, Hg(2) is bonded in a 4-coordinate geometry to three equivalent Hg(1) and one Si(1) atom. The Hg(2)-Si(1) bond length is 2.78 Å. Si(1) is bonded in a distorted water-like geometry to one Au(1) and one Hg(2) atom.