data_VHg2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15
_cell_length_b   7.15
_cell_length_c   3.99
_cell_angle_alpha   103.53
_cell_angle_beta   103.53
_cell_angle_gamma   24.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHg2As
_chemical_formula_sum   'V1 Hg2 As1'
_cell_volume   82.56
_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
  V  V3  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.63  0.0  0.15  1.0
  Hg  Hg2  1  0.39  0.0  0.73  1.0
  As  As0  1  0.51  0.0  0.94  1.0

data_VHg2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.99
_cell_length_c   7.15
_cell_angle_alpha   103.53
_cell_angle_beta   102.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHg2As
_chemical_formula_sum   'V1 Hg2 As1'
_cell_volume   82.56
_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
  V  V0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.15  0.63  1.0
  Hg  Hg2  1  0.0  0.73  0.39  1.0
  As  As3  1  0.0  0.94  0.51  1.0

V Hg Hg As
V Hg Hg As 0 0 + - o 0 1 - o o 0 3 - o - 0 3 o o - 0 2 o o - 0 2 o o o 1 3 o o - 2 3 o o o 
VHg2As crystallizes in the triclinic P1 space group. V(1) is bonded in a 5-coordinate geometry to two equivalent V(1), one Hg(1), and two equivalent Hg(2) atoms. Both V(1)-V(1) bond lengths are 3.05 Å. The V(1)-Hg(1) bond length is 2.85 Å. There is one shorter (3.19 Å) and one longer (3.51 Å) V(1)-Hg(2) bond length. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a single-bond geometry to one V(1) and one As(1) atom. The Hg(1)-As(1) bond length is 1.05 Å. In the second Hg site, Hg(2) is bonded in a single-bond geometry to two equivalent V(1) and one As(1) atom. The Hg(2)-As(1) bond length is 1.05 Å. As(1) is bonded in a linear geometry to one Hg(1) and one Hg(2) atom.