data_AlVBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVBi2
_chemical_formula_sum   'Al1 V1 Bi2'
_cell_volume   98.5
_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  0.5  0.5  0.5  1.0
  Bi  Bi1  1  0.67  0.67  0.67  1.0
  Bi  Bi2  1  0.83  0.83  0.83  1.0

data_AlVBi2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlVBi2
_chemical_formula_sum   'Al3 V3 Bi6'
_cell_volume   295.49
_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  0.5  1.0
  Bi  Bi2  3  0.0  0.0  0.17  1.0
  Bi  Bi3  3  0.0  0.0  0.33  1.0

Al V Bi Bi
VAlBi2 crystallizes in the trigonal R3m space group. V(1) is bonded to one Bi(1) and three equivalent Bi(2) atoms to form distorted VBi4 trigonal pyramids that share  a cornercorner with one Bi(2)AlV3Bi trigonal bipyramid, corners with three equivalent Bi(1)Al3VBi trigonal bipyramids, corners with six equivalent V(1)Bi4 trigonal pyramids, and edges with three equivalent Al(1)Bi4 trigonal pyramids. The V(1)-Bi(1) bond length is 2.12 Å. All V(1)-Bi(2) bond lengths are 2.99 Å. Al(1) is bonded to one Bi(2) and three equivalent Bi(1) atoms to form distorted AlBi4 trigonal pyramids that share  a cornercorner with one Bi(1)Al3VBi trigonal bipyramid, corners with three equivalent Bi(2)AlV3Bi trigonal bipyramids, corners with six equivalent Al(1)Bi4 trigonal pyramids, and edges with three equivalent V(1)Bi4 trigonal pyramids. The Al(1)-Bi(2) bond length is 2.12 Å. All Al(1)-Bi(1) bond lengths are 2.99 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one V(1), three equivalent Al(1), and one Bi(2) atom to form distorted BiAl3VBi trigonal bipyramids that share corners with six equivalent Bi(1)Al3VBi trigonal bipyramids,  a cornercorner with one Al(1)Bi4 trigonal pyramid, corners with three equivalent V(1)Bi4 trigonal pyramids, and edges with three equivalent Bi(2)AlV3Bi trigonal bipyramids. The Bi(1)-Bi(2) bond length is 2.12 Å. In the second Bi site, Bi(2) is bonded to three equivalent V(1), one Al(1), and one Bi(1) atom to form distorted BiAlV3Bi trigonal bipyramids that share corners with six equivalent Bi(2)AlV3Bi trigonal bipyramids,  a cornercorner with one V(1)Bi4 trigonal pyramid, corners with three equivalent Al(1)Bi4 trigonal pyramids, and edges with three equivalent Bi(1)Al3VBi trigonal bipyramids.