data_Hg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88
_cell_length_b   7.88
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Ru
_chemical_formula_sum   'Hg6 Ru3'
_cell_volume   174.51
_cell_formula_units_Z   3
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  0.88  0.93  0.62  1.0
  Hg  Hg1  1  0.61  0.14  0.0  1.0
  Hg  Hg2  1  0.23  0.0  0.62  1.0
  Hg  Hg3  1  0.82  0.89  0.62  1.0
  Hg  Hg4  1  0.78  0.0  0.0  1.0
  Hg  Hg5  1  0.55  0.68  0.0  1.0
  Ru  Ru6  1  0.0  0.0  0.0  1.0
  Ru  Ru7  1  0.0  0.55  0.62  1.0
  Ru  Ru8  1  0.94  0.27  0.62  1.0

data_Hg2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   7.88
_cell_length_c   7.88
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Ru
_chemical_formula_sum   'Hg6 Ru3'
_cell_volume   174.51
_cell_formula_units_Z   3
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  0.55  0.68  1.0
  Hg  Hg1  1  0.0  0.61  0.14  1.0
  Hg  Hg2  1  0.0  0.78  0.0  1.0
  Hg  Hg3  1  0.62  0.23  0.0  1.0
  Hg  Hg4  1  0.62  0.82  0.89  1.0
  Hg  Hg5  1  0.62  0.88  0.93  1.0
  Ru  Ru6  1  0.0  0.0  0.0  1.0
  Ru  Ru7  1  0.62  0.0  0.55  1.0
  Ru  Ru8  1  0.62  0.94  0.27  1.0

Hg Hg Hg Hg Hg Hg Ru Ru Ru
RuHg2 crystallizes in the triclinic P1 space group. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 2-coordinate geometry to one Hg(1), one Hg(3), and one Hg(5) atom. The Ru(1)-Hg(1) bond length is 1.46 Å. The Ru(1)-Hg(3) bond length is 2.20 Å. The Ru(1)-Hg(5) bond length is 1.70 Å. In the second Ru site, Ru(2) is bonded in a 2-coordinate geometry to one Ru(3) and one Hg(3) atom. The Ru(2)-Ru(3) bond length is 1.96 Å. The Ru(2)-Hg(3) bond length is 3.08 Å. In the third Ru site, Ru(3) is bonded in a 6-coordinate geometry to one Ru(2), one Hg(1), two equivalent Hg(2), and two equivalent Hg(5) atoms. The Ru(3)-Hg(1) bond length is 2.49 Å. There is one shorter (2.58 Å) and one longer (3.04 Å) Ru(3)-Hg(2) bond length. There is one shorter (2.24 Å) and one longer (2.76 Å) Ru(3)-Hg(5) bond length. There are six inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 2-coordinate geometry to one Ru(1), one Ru(3), and one Hg(4) atom. The Hg(1)-Hg(4) bond length is 0.43 Å. In the second Hg site, Hg(2) is bonded in a 4-coordinate geometry to two equivalent Ru(3), one Hg(3), and one Hg(5) atom. The Hg(2)-Hg(3) bond length is 2.86 Å. The Hg(2)-Hg(5) bond length is 2.18 Å. In the third Hg site, Hg(3) is bonded in a 1-coordinate geometry to one Ru(1), one Ru(2), and one Hg(2) atom. In the fourth Hg site, Hg(4) is bonded in a single-bond geometry to one Hg(1) and two equivalent Hg(6) atoms. There is one shorter (2.31 Å) and one longer (2.82 Å) Hg(4)-Hg(6) bond length. In the fifth Hg site, Hg(5) is bonded in a 1-coordinate geometry to one Ru(1), two equivalent Ru(3), one Hg(2), and one Hg(6) atom. The Hg(5)-Hg(6) bond length is 2.27 Å. In the sixth Hg site, Hg(6) is bonded to one Hg(5), two equivalent Hg(4), and two equivalent Hg(6) atoms to form distorted corner-sharing HgHg5 trigonal bipyramids. Both Hg(6)-Hg(6) bond lengths are 3.25 Å.