data_LiHg2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHg2Ir
_chemical_formula_sum   'Li1 Hg2 Ir1'
_cell_volume   70.01
_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  Li3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.62  0.33  0.62  1.0
  Hg  Hg1  1  0.62  0.67  0.62  1.0
  Ir  Ir2  1  0.23  0.0  0.0  1.0

data_LiHg2Ir
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.25
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiHg2Ir
_chemical_formula_sum   'Li1 Hg2 Ir1'
_cell_volume   70.04
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.62  0.33  0.62  1.0
  Ir  Ir2  1  0.0  0.0  0.23  1.0

Li Hg Hg Ir
LiIrHg2 crystallizes in the monoclinic Pm space group. Li(1) is bonded in a distorted single-bond geometry to one Ir(1) and four equivalent Hg(1) atoms. The Li(1)-Ir(1) bond length is 1.09 Å. There are two shorter (2.66 Å) and two longer (3.11 Å) Li(1)-Hg(1) bond lengths. Ir(1) is bonded in a single-bond geometry to one Li(1) and four equivalent Hg(1) atoms. There are two shorter (2.66 Å) and two longer (3.11 Å) Ir(1)-Hg(1) bond lengths. Hg(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Ir(1), and one Hg(1) atom. The Hg(1)-Hg(1) bond length is 1.54 Å.