data_Li2NbHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   2.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbHg
_chemical_formula_sum   'Li2 Nb1 Hg1'
_cell_volume   72.14
_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  0.49  0.79  0.37  1.0
  Li  Li2  1  0.49  0.21  0.37  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.97  0.0  0.0  1.0

data_Li2NbHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   112.14
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbHg
_chemical_formula_sum   'Li2 Nb1 Hg1'
_cell_volume   72.14
_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  0.37  0.49  0.21  1.0
  Li  Li1  1  0.37  0.49  0.79  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.97  0.0  1.0

Li Li Nb Hg
Li2NbHg crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 1-coordinate geometry to two equivalent Li(2) and one Hg(1) atom. There is one shorter (2.24 Å) and one longer (3.09 Å) Li(1)-Li(2) bond length. The Li(1)-Hg(1) bond length is 2.61 Å. In the second Li site, Li(2) is bonded in a 7-coordinate geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Nb(1), and one Hg(1) atom. Both Li(2)-Li(2) bond lengths are 2.74 Å. There is one shorter (2.61 Å) and one longer (2.96 Å) Li(2)-Nb(1) bond length. The Li(2)-Hg(1) bond length is 3.35 Å. Nb(1) is bonded in a single-bond geometry to two equivalent Li(2) and one Hg(1) atom. The Nb(1)-Hg(1) bond length is 0.14 Å. Hg(1) is bonded in a single-bond geometry to one Li(1), one Li(2), and one Nb(1) atom.