data_BaGa2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   6.67
_cell_angle_alpha   40.88
_cell_angle_beta   40.88
_cell_angle_gamma   40.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGa2Sb
_chemical_formula_sum   'Ba1 Ga2 Sb1'
_cell_volume   114.83
_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  0.16  1.0
  Ga  Ga1  1  0.0  0.0  0.15  1.0
  Ga  Ga2  1  0.0  0.0  0.17  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_BaGa2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.07
_cell_length_b   4.66
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   113.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaGa2Sb
_chemical_formula_sum   'Ba2 Ga4 Sb2'
_cell_volume   229.67
_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  0.84  1.0
  Ga  Ga1  2  0.0  0.0  0.83  1.0
  Ga  Ga2  2  0.0  0.0  0.85  1.0
  Sb  Sb3  2  0.0  0.0  0.0  1.0

Ba Ga Ga Sb
Ba Ga Ga Sb 0 1 o o o 0 2 o o o 0 3 o o o 1 3 o o o 2 3 o o o 
BaGa2Sb is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaGa2Sb clusters. Ba(1) is bonded in a linear geometry to one Ga(1) and one Ga(2) atom. The Ba(1)-Ga(1) bond length is 0.07 Å. The Ba(1)-Ga(2) bond length is 0.07 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted linear geometry to one Ba(1) and one Sb(1) atom. The Ga(1)-Sb(1) bond length is 0.99 Å. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one Ba(1) atom. Sb(1) is bonded in a single-bond geometry to one Ga(1) atom.