data_Ba2OsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   8.22
_cell_angle_alpha   105.61
_cell_angle_beta   105.61
_cell_angle_gamma   59.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2OsSe
_chemical_formula_sum   'Ba2 Os1 Se1'
_cell_volume   143.45
_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  0.11  0.0  0.87  1.0
  Ba  Ba1  1  0.38  0.0  0.95  1.0
  Os  Os2  1  0.74  0.0  0.91  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Ba2OsSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.57
_cell_length_b   4.62
_cell_length_c   8.22
_cell_angle_alpha   105.61
_cell_angle_beta   90.0
_cell_angle_gamma   119.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2OsSe
_chemical_formula_sum   'Ba2 Os1 Se1'
_cell_volume   143.45
_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  0.62  0.05  1.0
  Ba  Ba1  1  0.0  0.89  0.13  1.0
  Os  Os2  1  0.0  0.26  0.09  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Ba Ba Os Se
Ba Ba Os Se 0 3 o o + 0 1 o o o 2 3 + o + 
Ba2OsSe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ba2OsSe cluster. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a single-bond geometry to one Se(1) atom. The Ba(1)-Se(1) bond length is 1.29 Å. In the second Ba site, Ba(2) is bonded in a distorted single-bond geometry to one Os(1) atom. The Ba(2)-Os(1) bond length is 1.79 Å. Os(1) is bonded in a distorted bent 120 degrees geometry to one Ba(2) and one Se(1) atom. The Os(1)-Se(1) bond length is 1.22 Å. Se(1) is bonded in a distorted L-shaped geometry to one Ba(1) and one Os(1) atom.