data_BaBeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25
_cell_length_b   9.25
_cell_length_c   9.25
_cell_angle_alpha   18.45
_cell_angle_beta   18.45
_cell_angle_gamma   18.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBeOs2
_chemical_formula_sum   'Ba1 Be1 Os2'
_cell_volume   69.26
_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  0.64  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.45  1.0
  Os  Os3  1  0.0  0.0  0.82  1.0

data_BaBeOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   2.97
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   100.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaBeOs2
_chemical_formula_sum   'Ba2 Be2 Os4'
_cell_volume   138.52
_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  0.36  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.0  0.0  0.18  1.0
  Os  Os3  2  0.0  0.0  0.55  1.0

Ba Be Os Os
BaBeOs2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaBeOs2 clusters. Ba(1) is bonded in a linear geometry to one Os(1) and one Os(2) atom. The Ba(1)-Os(1) bond length is 1.71 Å. The Ba(1)-Os(2) bond length is 1.71 Å. Be(1) is bonded in a single-bond geometry to one Os(2) atom. The Be(1)-Os(2) bond length is 1.66 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a single-bond geometry to one Ba(1) atom. In the second Os site, Os(2) is bonded in a linear geometry to one Ba(1) and one Be(1) atom.