data_Li2VHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VHg
_chemical_formula_sum   'Li2 V1 Hg1'
_cell_volume   70.32
_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  0.69  0.0  0.97  1.0
  Li  Li2  1  0.69  0.0  0.29  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.63  1.0

data_Li2VHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VHg
_chemical_formula_sum   'Li2 V1 Hg1'
_cell_volume   70.32
_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  0.69  0.0  0.29  1.0
  Li  Li1  1  0.69  0.0  0.97  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.0  0.63  1.0

Li Li V Hg
Li2VHg crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted single-bond geometry to one V(1) and one Hg(1) atom. The Li(1)-V(1) bond length is 0.93 Å. The Li(1)-Hg(1) bond length is 3.26 Å. In the second Li site, Li(2) is bonded in a 7-coordinate geometry to four equivalent Li(2), two equivalent V(1), and one Hg(1) atom. All Li(2)-Li(2) bond lengths are 2.81 Å. There is one shorter (2.81 Å) and one longer (3.30 Å) Li(2)-V(1) bond length. The Li(2)-Hg(1) bond length is 3.26 Å. V(1) is bonded in a distorted single-bond geometry to one Li(1) and two equivalent Li(2) atoms. Hg(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), and four equivalent Hg(1) atoms. All Hg(1)-Hg(1) bond lengths are 2.81 Å.