data_CaBOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   149.14
_cell_angle_beta   125.94
_cell_angle_gamma   63.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBOs2
_chemical_formula_sum   'Ca1 B1 Os2'
_cell_volume   57.79
_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
  Ca  Ca1  1  0.0  0.0  0.42  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.38  0.0  0.72  1.0
  Os  Os3  1  0.0  0.36  0.7  1.0

data_CaBOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.73
_cell_length_c   5.2
_cell_angle_alpha   117.03
_cell_angle_beta   105.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBOs2
_chemical_formula_sum   'Ca1 B1 Os2'
_cell_volume   57.79
_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
  Ca  Ca0  1  0.58  0.58  0.58  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.3  0.66  0.66  1.0
  Os  Os3  1  0.67  0.28  0.67  1.0

Ca B Os Os
CaOs2B crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 1-coordinate geometry to one Os(1), one Os(2), and two equivalent B(1) atoms. The Ca(1)-Os(1) bond length is 1.65 Å. The Ca(1)-Os(2) bond length is 0.98 Å. There is one shorter (2.18 Å) and one longer (3.02 Å) Ca(1)-B(1) bond length. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a single-bond geometry to one Ca(1) and one B(1) atom. The Os(1)-B(1) bond length is 2.63 Å. In the second Os site, Os(2) is bonded in a distorted single-bond geometry to one Ca(1) and two equivalent B(1) atoms. There is one shorter (2.14 Å) and one longer (2.26 Å) Os(2)-B(1) bond length. B(1) is bonded to two equivalent Ca(1), one Os(1), and two equivalent Os(2) atoms to form distorted corner-sharing BCa2Os3 trigonal bipyramids.