data_HgGeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGeAu
_chemical_formula_sum   'Hg1 Ge1 Au1'
_cell_volume   70.67
_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  0.64  0.64  0.64  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.28  0.28  0.28  1.0

data_HgGeAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   11.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HgGeAu
_chemical_formula_sum   'Hg3 Ge3 Au3'
_cell_volume   212.01
_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  0.36  1.0
  Ge  Ge1  3  0.0  0.0  0.0  1.0
  Au  Au2  3  0.0  0.0  0.72  1.0

Hg Ge Au
AuHgGe crystallizes in the trigonal R3m space group. Au(1) is bonded to three equivalent Hg(1) and four equivalent Ge(1) atoms to form AuHg3Ge4 hexagonal pyramids that share corners with three equivalent Ge(1)Hg3Au4 hexagonal pyramids, corners with six equivalent Au(1)Hg3Ge4 hexagonal pyramids, edges with three equivalent Ge(1)Hg3Au4 hexagonal pyramids, and edges with six equivalent Au(1)Hg3Ge4 hexagonal pyramids. All Au(1)-Hg(1) bond lengths are 2.70 Å. There are three shorter (2.74 Å) and one longer (3.20 Å) Au(1)-Ge(1) bond length. Hg(1) is bonded in a distorted hexagonal planar geometry to three equivalent Au(1) and three equivalent Ge(1) atoms. All Hg(1)-Ge(1) bond lengths are 2.70 Å. Ge(1) is bonded to four equivalent Au(1) and three equivalent Hg(1) atoms to form distorted GeHg3Au4 hexagonal pyramids that share corners with three equivalent Au(1)Hg3Ge4 hexagonal pyramids, corners with six equivalent Ge(1)Hg3Au4 hexagonal pyramids, edges with three equivalent Au(1)Hg3Ge4 hexagonal pyramids, and edges with six equivalent Ge(1)Hg3Au4 hexagonal pyramids.