data_Hg4AuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg4AuCl
_chemical_formula_sum   'Hg4 Au1 Cl1'
_cell_volume   151.29
_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  Hg2  1  0.28  0.28  0.17  1.0
  Hg  Hg3  1  0.28  0.17  0.28  1.0
  Hg  Hg4  1  0.17  0.28  0.28  1.0
  Hg  Hg5  1  0.17  0.17  0.17  1.0
  Au  Au0  1  0.34  0.34  0.34  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Hg4AuCl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   14.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Hg4AuCl
_chemical_formula_sum   'Hg12 Au3 Cl3'
_cell_volume   453.87
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.07  0.04  0.75  1.0
  Hg  Hg1  3  0.0  0.0  0.83  1.0
  Au  Au2  3  0.0  0.0  0.66  1.0
  Cl  Cl3  3  0.0  0.0  0.0  1.0

Hg Hg Hg Hg Au Cl
AuHg3HgCl is diamond structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three chloromercury molecules and three AuHg3 clusters. In each AuHg3 cluster, Au(1) is bonded in a 3-coordinate geometry to three equivalent Hg(1) atoms. All Au(1)-Hg(1) bond lengths are 1.46 Å. Hg(1) is bonded in a 2-coordinate geometry to one Au(1) and two equivalent Hg(1) atoms. Both Hg(1)-Hg(1) bond lengths are 0.66 Å.