data_Ba2AlOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.46
_cell_length_b   10.46
_cell_length_c   10.46
_cell_angle_alpha   21.15
_cell_angle_beta   21.15
_cell_angle_gamma   21.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2AlOs
_chemical_formula_sum   'Ba2 Al1 Os1'
_cell_volume   130.6
_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  0.0  0.0  0.32  1.0
  Ba  Ba2  1  0.0  0.0  0.36  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.34  1.0

data_Ba2AlOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.65
_cell_length_b   3.84
_cell_length_c   10.46
_cell_angle_alpha   90.0
_cell_angle_beta   102.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2AlOs
_chemical_formula_sum   'Ba4 Al2 Os2'
_cell_volume   261.2
_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  0.64  1.0
  Ba  Ba1  2  0.0  0.0  0.68  1.0
  Al  Al2  2  0.0  0.0  0.0  1.0
  Os  Os3  2  0.0  0.0  0.66  1.0

Ba Ba Al Os
Ba Ba Al Os 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 
Ba2OsAl is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ba2OsAl clusters. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a single-bond geometry to one Os(1) and one Al(1) atom. The Ba(1)-Os(1) bond length is 0.25 Å. The Ba(1)-Al(1) bond length is 3.30 Å. In the second Ba site, Ba(2) is bonded in a single-bond geometry to one Os(1) atom. The Ba(2)-Os(1) bond length is 0.25 Å. Os(1) is bonded in a linear geometry to one Ba(1) and one Ba(2) atom. Al(1) is bonded in a single-bond geometry to one Ba(1) atom.