data_AlVPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVPb2
_chemical_formula_sum   'Al1 V1 Pb2'
_cell_volume   97.59
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  V  V3  1  0.48  0.48  0.48  1.0
  Pb  Pb1  1  0.65  0.65  0.65  1.0
  Pb  Pb2  1  0.83  0.83  0.83  1.0

data_AlVPb2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlVPb2
_chemical_formula_sum   'Al3 V3 Pb6'
_cell_volume   292.77
_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
  Al  Al0  3  0.0  0.0  0.0  1.0
  V  V1  3  0.0  0.0  0.52  1.0
  Pb  Pb2  3  0.0  0.0  0.17  1.0
  Pb  Pb3  3  0.0  0.0  0.35  1.0

Al V Pb Pb
VAlPb2 crystallizes in the trigonal R3m space group. V(1) is bonded to one Pb(1) and three equivalent Pb(2) atoms to form distorted VPb4 trigonal pyramids that share  a cornercorner with one Pb(2)AlV3Pb trigonal bipyramid, corners with three equivalent Pb(1)Al3VPb trigonal bipyramids, corners with six equivalent V(1)Pb4 trigonal pyramids, and edges with three equivalent Al(1)Pb4 trigonal pyramids. The V(1)-Pb(1) bond length is 2.19 Å. All V(1)-Pb(2) bond lengths are 2.99 Å. Al(1) is bonded to one Pb(2) and three equivalent Pb(1) atoms to form distorted AlPb4 trigonal pyramids that share  a cornercorner with one Pb(1)Al3VPb trigonal bipyramid, corners with three equivalent Pb(2)AlV3Pb trigonal bipyramids, corners with six equivalent Al(1)Pb4 trigonal pyramids, and edges with three equivalent V(1)Pb4 trigonal pyramids. The Al(1)-Pb(2) bond length is 2.19 Å. All Al(1)-Pb(1) bond lengths are 2.99 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one V(1), three equivalent Al(1), and one Pb(2) atom to form distorted PbAl3VPb trigonal bipyramids that share corners with six equivalent Pb(1)Al3VPb trigonal bipyramids,  a cornercorner with one Al(1)Pb4 trigonal pyramid, corners with three equivalent V(1)Pb4 trigonal pyramids, and edges with three equivalent Pb(2)AlV3Pb trigonal bipyramids. The Pb(1)-Pb(2) bond length is 2.19 Å. In the second Pb site, Pb(2) is bonded to three equivalent V(1), one Al(1), and one Pb(1) atom to form distorted PbAlV3Pb trigonal bipyramids that share corners with six equivalent Pb(2)AlV3Pb trigonal bipyramids,  a cornercorner with one V(1)Pb4 trigonal pyramid, corners with three equivalent Al(1)Pb4 trigonal pyramids, and edges with three equivalent Pb(1)Al3VPb trigonal bipyramids.