data_LiHg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHg2Ru
_chemical_formula_sum   'Li1 Hg2 Ru1'
_cell_volume   69.48
_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  Li2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.59  0.59  0.22  1.0
  Hg  Hg1  1  0.59  0.59  0.67  1.0
  Ru  Ru3  1  0.0  0.0  0.45  1.0

data_LiHg2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiHg2Ru
_chemical_formula_sum   'Li2 Hg4 Ru2'
_cell_volume   138.97
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.09  0.5  0.22  1.0
  Hg  Hg2  2  0.09  0.5  0.67  1.0
  Ru  Ru3  2  0.0  0.0  0.45  1.0

Li Hg Hg Ru
Li Hg Hg Ru 0 2 - - - 0 2 - o - 0 2 o - - 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 0 + o o 0 0 o + o 0 3 o o o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 2 o o o 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 2 2 + o o 2 2 o + o 
LiRuHg2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 1-coordinate geometry to one Ru(1), three equivalent Hg(1), and three equivalent Hg(2) atoms. The Li(1)-Ru(1) bond length is 3.07 Å. There is one shorter (2.41 Å) and two longer (2.75 Å) Li(1)-Hg(1) bond lengths. There is one shorter (2.94 Å) and two longer (3.22 Å) Li(1)-Hg(2) bond lengths. Ru(1) is bonded in a 9-coordinate geometry to one Li(1), four equivalent Hg(1), and four equivalent Hg(2) atoms. There are a spread of Ru(1)-Hg(1) bond distances ranging from 2.41-3.05 Å. There are a spread of Ru(1)-Hg(2) bond distances ranging from 2.41-3.05 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 4-coordinate geometry to three equivalent Li(1) and four equivalent Ru(1) atoms. In the second Hg site, Hg(2) is bonded in a 7-coordinate geometry to three equivalent Li(1) and four equivalent Ru(1) atoms.