data_Li2HgSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   4.42
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HgSe
_chemical_formula_sum   'Li2 Hg1 Se1'
_cell_volume   74.13
_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  0.21  0.28  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.84  0.21  0.0  1.0
  Se  Se3  1  0.84  0.0  0.28  1.0

data_Li2HgSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.42
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HgSe
_chemical_formula_sum   'Li2 Hg1 Se1'
_cell_volume   74.13
_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
  Li  Li1  1  0.0  0.21  0.28  1.0
  Hg  Hg2  1  0.84  0.21  -0.0  1.0
  Se  Se3  1  0.84  0.0  0.28  1.0

Li Li Hg Se
Li2HgSe is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Li2HgSe cluster. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one Hg(1) and one Se(1) atom. The Li(1)-Hg(1) bond length is 1.39 Å. The Li(1)-Se(1) bond length is 1.10 Å. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Hg(1) and one Se(1) atom. The Li(2)-Hg(1) bond length is 1.10 Å. The Li(2)-Se(1) bond length is 1.39 Å. Hg(1) is bonded in a 2-coordinate geometry to one Li(1) and one Li(2) atom. Se(1) is bonded in a 2-coordinate geometry to one Li(1) and one Li(2) atom.