data_Ba2InSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2InSb
_chemical_formula_sum   'Ba2 In1 Sb1'
_cell_volume   154.2
_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
  Ba  Ba0  1  0.23  0.23  0.66  1.0
  Ba  Ba1  1  0.23  0.23  0.1  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.88  1.0

data_Ba2InSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2InSb
_chemical_formula_sum   'Ba4 In2 Sb2'
_cell_volume   308.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.23  0.0  0.1  1.0
  Ba  Ba1  2  0.23  0.0  0.66  1.0
  In  In2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  0.0  0.0  0.88  1.0

Ba Ba In Sb
Ba Ba In Sb 0 3 o o o 1 2 o o o 2 3 o o - 
Ba2InSb crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ba2InSb clusters. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a single-bond geometry to one Sb(1) atom. The Ba(1)-Sb(1) bond length is 2.25 Å. In the second Ba site, Ba(2) is bonded in a single-bond geometry to one In(1) atom. The Ba(2)-In(1) bond length is 1.64 Å. In(1) is bonded in a bent 120 degrees geometry to one Ba(2) and one Sb(1) atom. The In(1)-Sb(1) bond length is 0.95 Å. Sb(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one In(1) atom.