data_VBi2As
_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   VBi2As
_chemical_formula_sum   'V1 Bi2 As1'
_cell_volume   97.75
_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
  Bi  Bi1  1  0.83  0.83  0.83  1.0
  Bi  Bi2  1  0.66  0.66  0.66  1.0
  As  As0  1  0.48  0.48  0.48  1.0

data_VBi2As
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VBi2As
_chemical_formula_sum   'V3 Bi6 As3'
_cell_volume   293.24
_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
  Bi  Bi1  3  0.0  0.0  0.17  1.0
  Bi  Bi2  3  0.0  0.0  0.34  1.0
  As  As3  3  0.0  0.0  0.52  1.0

V Bi Bi As
VBi2As 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)V3BiAs trigonal bipyramid, corners with six equivalent V(1)Bi4 trigonal pyramids, and edges with three equivalent As(1)Bi4 trigonal pyramids. The V(1)-Bi(1) bond length is 2.18 Å. All V(1)-Bi(2) bond lengths are 2.99 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one V(1), one Bi(2), and three equivalent As(1) atoms. The Bi(1)-Bi(2) bond length is 2.18 Å. All Bi(1)-As(1) bond lengths are 2.99 Å. In the second Bi site, Bi(2) is bonded to three equivalent V(1), one Bi(1), and one As(1) atom to form BiV3BiAs trigonal bipyramids that share corners with six equivalent Bi(2)V3BiAs trigonal bipyramids,  a cornercorner with one V(1)Bi4 trigonal pyramid, and corners with three equivalent As(1)Bi4 trigonal pyramids. The Bi(2)-As(1) bond length is 2.18 Å. As(1) is bonded to one Bi(2) and three equivalent Bi(1) atoms to form distorted AsBi4 trigonal pyramids that share corners with three equivalent Bi(2)V3BiAs trigonal bipyramids, corners with six equivalent As(1)Bi4 trigonal pyramids, and edges with three equivalent V(1)Bi4 trigonal pyramids.