data_Ba2SbAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.9
_cell_length_b   5.78
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SbAs
_chemical_formula_sum   'Ba2 Sb1 As1'
_cell_volume   156.33
_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  Ba1  1  0.95  0.89  0.0  1.0
  Ba  Ba2  1  0.0  0.0  0.47  1.0
  Sb  Sb3  1  0.95  0.89  0.47  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Ba2SbAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   5.78
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SbAs
_chemical_formula_sum   'Ba2 Sb1 As1'
_cell_volume   156.33
_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  0.0  0.0  0.47  1.0
  Ba  Ba1  1  0.95  0.89  0.0  1.0
  Sb  Sb2  1  0.95  0.89  0.47  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Ba Ba Sb As
Ba Ba Sb As 0 3 + + o 1 2 - - o 
BaSbBaAs is beta oxygen-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaAs cluster and one BaSb cluster. In the BaAs cluster, Ba(1) is bonded in a single-bond geometry to one As(1) atom. The Ba(1)-As(1) bond length is 0.67 Å. As(1) is bonded in a single-bond geometry to one Ba(1) atom. In the BaSb cluster, Ba(2) is bonded in a single-bond geometry to one Sb(1) atom. The Ba(2)-Sb(1) bond length is 0.67 Å. Sb(1) is bonded in a single-bond geometry to one Ba(2) atom.