data_LiCo2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.23
_cell_length_b   9.23
_cell_length_c   9.23
_cell_angle_alpha   17.13
_cell_angle_beta   17.13
_cell_angle_gamma   17.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCo2Hg
_chemical_formula_sum   'Li1 Co2 Hg1'
_cell_volume   59.56
_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
  Co  Co0  1  0.0  0.0  0.92  1.0
  Co  Co1  1  0.0  0.0  0.36  1.0
  Hg  Hg2  1  0.0  0.0  0.64  1.0

data_LiCo2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.76
_cell_length_b   2.75
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   99.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiCo2Hg
_chemical_formula_sum   'Li2 Co4 Hg2'
_cell_volume   119.13
_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
  Co  Co1  2  0.0  0.0  0.08  1.0
  Co  Co2  2  0.0  0.0  0.64  1.0
  Hg  Hg3  2  0.0  0.0  0.36  1.0

Li Co Co Hg
LiCo2Hg crystallizes in the monoclinic Cm space group. Li(1) is bonded in a single-bond geometry to one Co(1) and one Co(2) atom. The Li(1)-Co(1) bond length is 0.70 Å. The Li(1)-Co(2) bond length is 3.30 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Li(1) and one Hg(1) atom. The Co(1)-Hg(1) bond length is 2.62 Å. In the second Co site, Co(2) is bonded to one Li(1), six equivalent Co(2), and one Hg(1) atom to form distorted CoLiCo6Hg hexagonal bipyramids that share corners with six equivalent Co(2)LiCo6Hg hexagonal bipyramids, edges with six equivalent Hg(1)Co2Hg6 hexagonal bipyramids, and edges with twelve equivalent Co(2)LiCo6Hg hexagonal bipyramids. All Co(2)-Co(2) bond lengths are 2.75 Å. The Co(2)-Hg(1) bond length is 2.62 Å. Hg(1) is bonded to one Co(1), one Co(2), and six equivalent Hg(1) atoms to form distorted HgCo2Hg6 hexagonal bipyramids that share corners with six equivalent Hg(1)Co2Hg6 hexagonal bipyramids, edges with six equivalent Co(2)LiCo6Hg hexagonal bipyramids, and edges with twelve equivalent Hg(1)Co2Hg6 hexagonal bipyramids. All Hg(1)-Hg(1) bond lengths are 2.75 Å.