data_VHgBiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHgBiPb
_chemical_formula_sum   'V1 Hg1 Bi1 Pb1'
_cell_volume   100.97
_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  0.85  0.85  0.85  1.0
  Bi  Bi0  1  0.7  0.7  0.7  1.0
  Pb  Pb2  1  0.54  0.54  0.54  1.0

data_VHgBiPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   12.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VHgBiPb
_chemical_formula_sum   'V3 Hg3 Bi3 Pb3'
_cell_volume   302.9
_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  0.15  1.0
  Bi  Bi2  3  0.0  0.0  0.3  1.0
  Pb  Pb3  3  0.0  0.0  0.46  1.0

V Hg Bi Pb
VHgPbBi crystallizes in the trigonal R3m space group. V(1) is bonded in a distorted single-bond geometry to one Hg(1) and three equivalent Bi(1) atoms. The V(1)-Hg(1) bond length is 1.95 Å. All V(1)-Bi(1) bond lengths are 3.04 Å. Hg(1) is bonded to one V(1), three equivalent Pb(1), and one Bi(1) atom to form distorted HgVBiPb3 trigonal bipyramids that share corners with six equivalent Hg(1)VBiPb3 trigonal bipyramids and edges with three equivalent Bi(1)V3HgPb trigonal bipyramids. All Hg(1)-Pb(1) bond lengths are 3.04 Å. The Hg(1)-Bi(1) bond length is 1.95 Å. Pb(1) is bonded in a distorted single-bond geometry to three equivalent Hg(1) and one Bi(1) atom. The Pb(1)-Bi(1) bond length is 1.95 Å. Bi(1) is bonded to three equivalent V(1), one Hg(1), and one Pb(1) atom to form distorted BiV3HgPb trigonal bipyramids that share corners with six equivalent Bi(1)V3HgPb trigonal bipyramids and edges with three equivalent Hg(1)VBiPb3 trigonal bipyramids.