data_LiHgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   2.8
_cell_angle_alpha   103.34
_cell_angle_beta   103.34
_cell_angle_gamma   122.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHgRu2
_chemical_formula_sum   'Li1 Hg1 Ru2'
_cell_volume   62.34
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.63  0.0  0.0  1.0
  Ru  Ru2  1  0.64  0.42  0.23  1.0
  Ru  Ru3  1  0.64  0.58  0.23  1.0

data_LiHgRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.61
_cell_length_c   5.5
_cell_angle_alpha   113.86
_cell_angle_beta   103.34
_cell_angle_gamma   93.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHgRu2
_chemical_formula_sum   'Li1 Hg1 Ru2'
_cell_volume   62.34
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.63  1.0
  Ru  Ru2  1  0.64  0.42  0.06  1.0
  Ru  Ru3  1  0.81  0.58  0.22  1.0

Li Hg Ru Ru
LiRu2Hg crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one Ru(1), two equivalent Ru(2), and one Hg(1) atom. The Li(1)-Ru(1) bond length is 2.75 Å. There is one shorter (2.16 Å) and one longer (2.44 Å) Li(1)-Ru(2) bond length. The Li(1)-Hg(1) bond length is 2.04 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 3-coordinate geometry to one Li(1), one Ru(2), and one Hg(1) atom. The Ru(1)-Ru(2) bond length is 0.90 Å. The Ru(1)-Hg(1) bond length is 2.21 Å. In the second Ru site, Ru(2) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one Ru(1) atom. Hg(1) is bonded in a 2-coordinate geometry to one Li(1) and one Ru(1) atom.