data_VZnNiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnNiPb
_chemical_formula_sum   'V1 Zn1 Ni1 Pb1'
_cell_volume   65.16
_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  0.79  0.79  0.79  1.0
  Ni  Ni0  1  0.19  0.19  0.19  1.0
  Pb  Pb1  1  0.6  0.6  0.6  1.0

data_VZnNiPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   11.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VZnNiPb
_chemical_formula_sum   'V3 Zn3 Ni3 Pb3'
_cell_volume   195.47
_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
  Zn  Zn1  3  0.0  0.0  0.21  1.0
  Ni  Ni2  3  0.0  0.0  0.81  1.0
  Pb  Pb3  3  0.0  0.0  0.4  1.0

V Zn Ni Pb
V Zn Ni Pb 0 1 - - - 0 3 - - o 0 3 - o - 0 3 o - - 0 2 o o o 1 3 o o o 1 2 o + + 1 2 + o + 1 2 + + o 2 3 - o o 2 3 o - o 2 3 o o - 
VNiZnPb crystallizes in the trigonal R3m space group. V(1) is bonded in a 5-coordinate geometry to four equivalent Ni(1), one Zn(1), and three equivalent Pb(1) atoms. There is one shorter (2.14 Å) and three longer (3.03 Å) V(1)-Ni(1) bond lengths. The V(1)-Zn(1) bond length is 2.32 Å. All V(1)-Pb(1) bond lengths are 2.72 Å. Ni(1) is bonded in a 10-coordinate geometry to four equivalent V(1), three equivalent Zn(1), and three equivalent Pb(1) atoms. All Ni(1)-Zn(1) bond lengths are 2.72 Å. All Ni(1)-Pb(1) bond lengths are 2.72 Å. Zn(1) is bonded in a distorted single-bond geometry to one V(1), three equivalent Ni(1), and one Pb(1) atom. The Zn(1)-Pb(1) bond length is 2.14 Å. Pb(1) is bonded in a distorted single-bond geometry to three equivalent V(1), three equivalent Ni(1), and one Zn(1) atom.