data_HgPdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPdRu2
_chemical_formula_sum   'Hg1 Pd1 Ru2'
_cell_volume   64.05
_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  0.18  0.18  0.18  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.76  0.76  0.76  1.0
  Ru  Ru3  1  0.59  0.59  0.59  1.0

data_HgPdRu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   11.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HgPdRu2
_chemical_formula_sum   'Hg3 Pd3 Ru6'
_cell_volume   192.15
_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  0.82  1.0
  Pd  Pd1  3  0.0  0.0  0.0  1.0
  Ru  Ru2  3  0.0  0.0  0.24  1.0
  Ru  Ru3  3  0.0  0.0  0.41  1.0

Hg Pd Ru Ru
Ru2PdHg crystallizes in the trigonal R3m space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 5-coordinate geometry to one Ru(2), one Pd(1), and three equivalent Hg(1) atoms. The Ru(1)-Ru(2) bond length is 1.93 Å. The Ru(1)-Pd(1) bond length is 2.60 Å. All Ru(1)-Hg(1) bond lengths are 2.73 Å. In the second Ru site, Ru(2) is bonded in a 4-coordinate geometry to one Ru(1) and three equivalent Hg(1) atoms. All Ru(2)-Hg(1) bond lengths are 2.73 Å. Pd(1) is bonded in a single-bond geometry to one Ru(1) and one Hg(1) atom. The Pd(1)-Hg(1) bond length is 1.93 Å. Hg(1) is bonded in a distorted single-bond geometry to three equivalent Ru(1), three equivalent Ru(2), and one Pd(1) atom.