data_HgRu2Pb
_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   HgRu2Pb
_chemical_formula_sum   'Hg1 Ru2 Pb1'
_cell_volume   70.54
_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  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.92  0.92  0.92  1.0
  Ru  Ru3  1  0.64  0.64  0.64  1.0
  Pb  Pb1  1  0.28  0.28  0.28  1.0

data_HgRu2Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   11.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HgRu2Pb
_chemical_formula_sum   'Hg3 Ru6 Pb3'
_cell_volume   211.61
_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  0.0  1.0
  Ru  Ru1  3  0.0  0.0  0.08  1.0
  Ru  Ru2  3  0.0  0.0  0.36  1.0
  Pb  Pb3  3  0.0  0.0  0.72  1.0

Hg Ru Ru Pb
Hg Ru Ru Pb 0 1 - - - 0 2 o - - 0 2 - o - 0 2 - - o 0 3 o o o 0 3 o o - 0 3 o - o 0 3 - o o 1 2 + o o 1 2 o + o 1 2 o o + 1 2 o o o 1 3 + + o 1 3 + o + 1 3 o + + 2 3 o o + 2 3 o + o 2 3 + o o 
Ru2HgPb crystallizes in the trigonal R3m space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a single-bond geometry to four equivalent Ru(2), one Hg(1), and three equivalent Pb(1) atoms. There are three shorter (2.75 Å) and one longer (3.17 Å) Ru(1)-Ru(2) bond length. The Ru(1)-Hg(1) bond length is 0.92 Å. All Ru(1)-Pb(1) bond lengths are 2.70 Å. In the second Ru site, Ru(2) is bonded in a 10-coordinate geometry to four equivalent Ru(1), three equivalent Hg(1), and three equivalent Pb(1) atoms. All Ru(2)-Hg(1) bond lengths are 2.70 Å. All Ru(2)-Pb(1) bond lengths are 2.70 Å. Hg(1) is bonded in a single-bond geometry to one Ru(1), three equivalent Ru(2), and four equivalent Pb(1) atoms. There are three shorter (2.75 Å) and one longer (3.17 Å) Hg(1)-Pb(1) bond length. Pb(1) is bonded in a distorted q6 geometry to three equivalent Ru(1), three equivalent Ru(2), and four equivalent Hg(1) atoms.