data_V2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   105.95
_cell_angle_beta   105.95
_cell_angle_gamma   116.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Hg
_chemical_formula_sum   'V4 Hg2'
_cell_volume   102.5
_cell_formula_units_Z   2
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
  V  V2  1  0.33  0.76  0.69  1.0
  V  V3  1  0.24  0.33  0.69  1.0
  V  V4  1  0.85  0.76  0.0  1.0
  V  V5  1  0.76  0.33  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.03  1.0
  Hg  Hg1  1  0.0  0.0  0.34  1.0

data_V2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   105.95
_cell_angle_beta   105.95
_cell_angle_gamma   116.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Hg
_chemical_formula_sum   'V4 Hg2'
_cell_volume   102.5
_cell_formula_units_Z   2
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
  V  V0  1  0.24  0.33  0.69  1.0
  V  V1  1  0.33  0.76  0.69  1.0
  V  V2  1  0.76  0.33  0.0  1.0
  V  V3  1  0.85  0.76  0.0  1.0
  Hg  Hg4  1  0.0  0.0  0.03  1.0
  Hg  Hg5  1  0.0  0.0  0.34  1.0

V V V V Hg Hg
V2Hg crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to one V(2), one V(4), one Hg(1), and one Hg(2) atom. The V(1)-V(2) bond length is 2.04 Å. The V(1)-V(4) bond length is 2.38 Å. The V(1)-Hg(1) bond length is 3.13 Å. The V(1)-Hg(2) bond length is 2.99 Å. In the second V site, V(2) is bonded in a distorted single-bond geometry to one V(1) and one Hg(2) atom. The V(2)-Hg(2) bond length is 1.67 Å. In the third V site, V(3) is bonded in a 1-coordinate geometry to one V(4), one Hg(1), and one Hg(2) atom. The V(3)-V(4) bond length is 2.04 Å. The V(3)-Hg(1) bond length is 1.06 Å. The V(3)-Hg(2) bond length is 1.56 Å. In the fourth V site, V(4) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one Hg(1) atom. The V(4)-Hg(1) bond length is 2.52 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a single-bond geometry to one V(1), one V(3), and one V(4) atom. In the second Hg site, Hg(2) is bonded in a 2-coordinate geometry to one V(1), one V(2), and one V(3) atom.