data_Ba2SrSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   7.03
_cell_angle_alpha   135.9
_cell_angle_beta   135.9
_cell_angle_gamma   64.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrSb
_chemical_formula_sum   'Ba2 Sr1 Sb1'
_cell_volume   166.01
_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  0.64  0.0  0.98  1.0
  Ba  Ba1  1  0.0  0.64  0.98  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.0  0.96  1.0

data_Ba2SrSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   122.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2SrSb
_chemical_formula_sum   'Ba4 Sr2 Sb2'
_cell_volume   332.02
_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  4  0.34  0.32  0.66  1.0
  Sr  Sr1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  2  0.04  0.0  0.04  1.0

Ba Ba Sr Sb
Ba Ba Sr Sb 0 1 + - o 0 2 + o + 0 3 + o o 1 2 o + + 1 3 o + o 2 3 o o - 
Ba2SrSb is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ba2SrSb clusters. Ba(1) is bonded in a distorted single-bond geometry to one Sr(1) atom. The Ba(1)-Sr(1) bond length is 2.43 Å. Sr(1) is bonded in a single-bond geometry to two equivalent Ba(1) and one Sb(1) atom. The Sr(1)-Sb(1) bond length is 0.30 Å. Sb(1) is bonded in a single-bond geometry to one Sr(1) atom.