data_VIn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIn2Bi
_chemical_formula_sum   'V1 In2 Bi1'
_cell_volume   100.35
_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
  In  In1  1  0.84  0.84  0.84  1.0
  In  In2  1  0.69  0.69  0.69  1.0
  Bi  Bi0  1  0.53  0.53  0.53  1.0

data_VIn2Bi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   12.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VIn2Bi
_chemical_formula_sum   'V3 In6 Bi3'
_cell_volume   301.06
_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
  In  In1  3  0.0  0.0  0.16  1.0
  In  In2  3  0.0  0.0  0.31  1.0
  Bi  Bi3  3  0.0  0.0  0.47  1.0

V In In Bi
VIn2Bi crystallizes in the trigonal R3m space group. V(1) is bonded in a distorted single-bond geometry to one In(1) and three equivalent In(2) atoms. The V(1)-In(1) bond length is 1.99 Å. All V(1)-In(2) bond lengths are 3.02 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to one V(1), one In(2), and three equivalent Bi(1) atoms to form distorted InVInBi3 trigonal bipyramids that share corners with six equivalent In(1)VInBi3 trigonal bipyramids and edges with three equivalent In(2)V3InBi trigonal bipyramids. The In(1)-In(2) bond length is 1.99 Å. All In(1)-Bi(1) bond lengths are 3.02 Å. In the second In site, In(2) is bonded to three equivalent V(1), one In(1), and one Bi(1) atom to form distorted InV3InBi trigonal bipyramids that share corners with six equivalent In(2)V3InBi trigonal bipyramids and edges with three equivalent In(1)VInBi3 trigonal bipyramids. The In(2)-Bi(1) bond length is 1.99 Å. Bi(1) is bonded in a distorted single-bond geometry to one In(2) and three equivalent In(1) atoms.