data_VZnHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnHg2
_chemical_formula_sum   'V1 Zn1 Hg2'
_cell_volume   72.0
_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  V2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.04  1.0
  Hg  Hg0  1  0.49  0.49  0.1  1.0
  Hg  Hg1  1  0.49  0.49  0.98  1.0

data_VZnHg2
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   VZnHg2
_chemical_formula_sum   'V1 Zn1 Hg2'
_cell_volume   72.0
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  Zn  Zn1  1  0.0  0.0  0.04  1.0
  Hg  Hg2  1  0.5  0.5  0.1  1.0
  Hg  Hg3  1  0.5  0.5  0.98  1.0

V Zn Hg Hg
V Zn Hg Hg 0 1 o o o 2 3 o o - 
VZn(Hg)2 is alpha Niobium phosphide-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Hg clusters and two VZn clusters. In each Hg cluster, there are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a single-bond geometry to one Hg(2) atom. The Hg(1)-Hg(2) bond length is 0.99 Å. In the second Hg site, Hg(2) is bonded in a single-bond geometry to one Hg(1) atom. In each VZn cluster, V(1) is bonded in a single-bond geometry to one Zn(1) atom. The V(1)-Zn(1) bond length is 0.35 Å. Zn(1) is bonded in a single-bond geometry to one V(1) atom.