data_BaBOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   121.06
_cell_angle_beta   121.06
_cell_angle_gamma   88.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBOs2
_chemical_formula_sum   'Ba1 B1 Os2'
_cell_volume   71.56
_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  0.31  0.0  0.68  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.37  1.0
  Os  Os3  1  0.0  0.31  0.68  1.0

data_BaBOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.69
_cell_angle_alpha   119.47
_cell_angle_beta   119.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBOs2
_chemical_formula_sum   'Ba1 B1 Os2'
_cell_volume   71.56
_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  0.32  0.0  0.62  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.62  0.31  0.62  1.0
  Os  Os3  1  0.63  0.0  0.63  1.0

Ba B Os Os
Ba B Os Os 0 2 o o o 1 2 o o o 2 3 o o o 
BaOs2B crystallizes in the triclinic P1 space group. Ba(1) is bonded in a distorted single-bond geometry to one Os(1), one Os(2), and two equivalent B(1) atoms. The Ba(1)-Os(1) bond length is 1.44 Å. The Ba(1)-Os(2) bond length is 1.99 Å. There is one shorter (2.54 Å) and one longer (2.79 Å) Ba(1)-B(1) bond length. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 1-coordinate geometry to one Ba(1), one Os(2), and one B(1) atom. The Os(1)-Os(2) bond length is 1.44 Å. The Os(1)-B(1) bond length is 1.71 Å. In the second Os site, Os(2) is bonded in a 4-coordinate geometry to one Ba(1), one Os(1), and two equivalent B(1) atoms. There is one shorter (2.54 Å) and one longer (2.79 Å) Os(2)-B(1) bond length. B(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Os(1), and two equivalent Os(2) atoms.