data_VHg2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHg2Pb
_chemical_formula_sum   'V1 Hg2 Pb1'
_cell_volume   93.21
_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  Hg0  1  0.4  0.4  0.4  1.0
  Hg  Hg1  1  0.6  0.6  0.6  1.0
  Pb  Pb2  1  0.8  0.8  0.8  1.0

data_VHg2Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   12.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VHg2Pb
_chemical_formula_sum   'V3 Hg6 Pb3'
_cell_volume   279.64
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Hg  Hg1  3  0.0  0.0  0.4  1.0
  Hg  Hg2  3  0.0  0.0  0.6  1.0
  Pb  Pb3  3  0.0  0.0  0.2  1.0

V Hg Hg Pb
VHg2Pb crystallizes in the trigonal R3m space group. V(1) is bonded in a distorted single-bond geometry to three equivalent Hg(1) and one Pb(1) atom. All V(1)-Hg(1) bond lengths are 3.05 Å. The V(1)-Pb(1) bond length is 2.50 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to three equivalent V(1), one Hg(2), and three equivalent Pb(1) atoms to form distorted edge-sharing HgV3HgPb3 hexagonal pyramids. The Hg(1)-Hg(2) bond length is 2.50 Å. All Hg(1)-Pb(1) bond lengths are 3.06 Å. In the second Hg site, Hg(2) is bonded in a 1-coordinate geometry to one Hg(1) and one Pb(1) atom. The Hg(2)-Pb(1) bond length is 2.50 Å. Pb(1) is bonded in a distorted linear geometry to one V(1), one Hg(2), and three equivalent Hg(1) atoms.