data_HgGe3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGe3Au
_chemical_formula_sum   'Hg1 Ge3 Au1'
_cell_volume   131.83
_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  Hg4  1  0.54  0.54  0.54  1.0
  Ge  Ge0  1  0.0  0.54  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.54  1.0
  Ge  Ge2  1  0.54  0.0  0.0  1.0
  Au  Au3  1  0.0  0.0  0.0  1.0

data_HgGe3Au
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.2
_cell_length_b   7.2
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HgGe3Au
_chemical_formula_sum   'Hg3 Ge9 Au3'
_cell_volume   395.49
_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  3  0.0  0.0  0.54  1.0
  Ge  Ge1  9  0.03  0.51  0.51  1.0
  Au  Au2  3  0.0  0.0  0.0  1.0

Hg Ge Ge Ge Au
Hg Ge Ge Ge Au 0 2 o o o 0 2 o + o 0 2 + o o 0 2 + + o 0 1 o o o 0 1 o o + 0 1 + o o 0 1 + o + 0 3 o o o 0 3 o o + 0 3 o + o 0 3 o + + 0 4 + + + 1 4 o o o 1 4 o + o 2 4 o o o 2 4 o o + 3 4 o o o 3 4 + o o 
AuHgGe3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Au(1) is bonded to six equivalent Ge(1) atoms to form corner-sharing AuGe6 octahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.32 Å) and three longer (2.77 Å) Au(1)-Ge(1) bond lengths. Hg(1) is bonded in a 3-coordinate geometry to three equivalent Ge(1) atoms. All Hg(1)-Ge(1) bond lengths are 3.28 Å. Ge(1) is bonded in a linear geometry to two equivalent Au(1) and one Hg(1) atom.