data_Hg2MoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2MoAu
_chemical_formula_sum   'Hg2 Mo1 Au1'
_cell_volume   76.06
_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  0.46  0.46  0.81  1.0
  Hg  Hg2  1  0.46  0.46  0.17  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.49  1.0

data_Hg2MoAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hg2MoAu
_chemical_formula_sum   'Hg4 Mo2 Au2'
_cell_volume   152.13
_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
  Hg  Hg0  2  0.46  0.0  0.17  1.0
  Hg  Hg1  2  0.46  0.0  0.81  1.0
  Mo  Mo2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.49  1.0

Hg Hg Mo Au
MoAuHg2 crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a 8-coordinate geometry to four equivalent Hg(1) and four equivalent Hg(2) atoms. There are a spread of Mo(1)-Hg(1) bond distances ranging from 2.56-2.84 Å. There are a spread of Mo(1)-Hg(2) bond distances ranging from 2.42-2.71 Å. Au(1) is bonded in a 6-coordinate geometry to four equivalent Au(1), one Hg(1), and one Hg(2) atom. All Au(1)-Au(1) bond lengths are 2.91 Å. The Au(1)-Hg(1) bond length is 3.41 Å. The Au(1)-Hg(2) bond length is 3.41 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 4-coordinate geometry to four equivalent Mo(1) and one Au(1) atom. In the second Hg site, Hg(2) is bonded in a 4-coordinate geometry to four equivalent Mo(1) and one Au(1) atom.