data_Hg4RhPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg4RhPb
_chemical_formula_sum   'Hg4 Rh1 Pb1'
_cell_volume   140.99
_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  Hg0  1  0.17  0.17  0.09  1.0
  Hg  Hg1  1  0.17  0.09  0.17  1.0
  Hg  Hg2  1  0.09  0.17  0.17  1.0
  Hg  Hg3  1  0.09  0.09  0.09  1.0
  Rh  Rh5  1  0.0  0.0  0.0  1.0
  Pb  Pb4  1  0.2  0.2  0.2  1.0

data_Hg4RhPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   14.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Hg4RhPb
_chemical_formula_sum   'Hg12 Rh3 Pb3'
_cell_volume   422.96
_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  0.05  0.03  0.86  1.0
  Hg  Hg1  3  0.0  0.0  0.91  1.0
  Rh  Rh2  3  0.0  0.0  0.0  1.0
  Pb  Pb3  3  0.0  0.0  0.8  1.0

Hg Hg Hg Hg Rh Pb
Hg Hg Hg Hg Rh Pb 0 1 o o o 0 2 o o o 0 3 o o o 0 5 o o o 1 2 o o o 1 3 o o o 1 5 o o o 2 3 o o o 2 5 o o o 3 4 o o o 
Rh(Hg)Hg3Pb is diamond structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Hg3Pb clusters and three Rh(Hg) clusters. In each Hg3Pb cluster, Hg(1) is bonded in a 3-coordinate geometry to two equivalent Hg(1) and one Pb(1) atom. Both Hg(1)-Hg(1) bond lengths are 0.45 Å. The Hg(1)-Pb(1) bond length is 0.80 Å. Pb(1) is bonded in a 3-coordinate geometry to three equivalent Hg(1) atoms. In each Rh(Hg) cluster, Rh(1) is bonded in a single-bond geometry to one Hg(2) atom. The Rh(1)-Hg(2) bond length is 1.32 Å. Hg(2) is bonded in a distorted single-bond geometry to one Rh(1) atom.