data_Ba(B2Sb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66
_cell_length_b   7.66
_cell_length_c   7.66
_cell_angle_alpha   142.06
_cell_angle_beta   142.06
_cell_angle_gamma   54.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(B2Sb)2
_chemical_formula_sum   'Ba1 B4 Sb2'
_cell_volume   168.5
_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  Ba4  1  0.0  0.0  0.0  1.0
  B  B0  1  0.49  0.0  0.0  1.0
  B  B1  1  0.0  0.49  0.0  1.0
  B  B2  1  0.0  0.0  0.59  1.0
  B  B3  1  0.0  0.0  0.01  1.0
  Sb  Sb5  1  0.0  0.0  0.34  1.0
  Sb  Sb6  1  0.0  0.0  0.26  1.0

data_Ba(B2Sb)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   7.66
_cell_angle_alpha   90.0
_cell_angle_beta   117.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba(B2Sb)2
_chemical_formula_sum   'Ba2 B8 Sb4'
_cell_volume   337.0
_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  0.0  0.0  0.0  1.0
  B  B1  4  0.26  0.26  0.51  1.0
  B  B2  2  0.01  0.0  0.01  1.0
  B  B3  2  0.09  0.5  0.59  1.0
  Sb  Sb4  2  0.26  0.0  0.26  1.0
  Sb  Sb5  2  0.34  0.0  0.34  1.0

Ba B B B B Sb Sb
Ba(B2Sb)2 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a single-bond geometry to one B(2) and one B(3) atom. The Ba(1)-B(2) bond length is 3.15 Å. The Ba(1)-B(3) bond length is 0.09 Å. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 2-coordinate geometry to one B(2) and one Sb(1) atom. The B(1)-B(2) bond length is 2.31 Å. The B(1)-Sb(1) bond length is 2.46 Å. In the second B site, B(2) is bonded in a distorted see-saw-like geometry to one Ba(1), two equivalent B(1), and one Sb(1) atom. The B(2)-Sb(1) bond length is 1.92 Å. In the third B site, B(3) is bonded in a single-bond geometry to one Ba(1) and one Sb(2) atom. The B(3)-Sb(2) bond length is 1.92 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted linear geometry to one B(2), two equivalent B(1), and one Sb(2) atom. The Sb(1)-Sb(2) bond length is 0.58 Å. In the second Sb site, Sb(2) is bonded in a distorted linear geometry to one B(3) and one Sb(1) atom.