data_VIn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VIn2Sb
_chemical_formula_sum   'V1 In2 Sb1'
_cell_volume   96.13
_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  In0  1  0.45  0.45  0.45  1.0
  In  In1  1  0.82  0.82  0.82  1.0
  Sb  Sb2  1  0.64  0.64  0.64  1.0

data_VIn2Sb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   12.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VIn2Sb
_chemical_formula_sum   'V3 In6 Sb3'
_cell_volume   288.39
_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  0.18  1.0
  In  In2  3  0.0  0.0  0.55  1.0
  Sb  Sb3  3  0.0  0.0  0.36  1.0

V In In Sb
VIn2Sb crystallizes in the trigonal R3m space group. V(1) is bonded in a 4-coordinate geometry to one In(2) and three equivalent Sb(1) atoms. The V(1)-In(2) bond length is 2.29 Å. All V(1)-Sb(1) bond lengths are 2.99 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a single-bond geometry to one Sb(1) atom. The In(1)-Sb(1) bond length is 2.29 Å. In the second In site, In(2) is bonded in a distorted linear geometry to one V(1) and one Sb(1) atom. The In(2)-Sb(1) bond length is 2.29 Å. Sb(1) is bonded to three equivalent V(1), one In(1), and one In(2) atom to form distorted corner-sharing SbV3In2 trigonal bipyramids.