data_BaAsOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAsOs2
_chemical_formula_sum   'Ba1 As1 Os2'
_cell_volume   81.42
_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  0.97  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.49  0.8  0.55  1.0
  Os  Os3  1  0.49  0.2  0.55  1.0

data_BaAsOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   112.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAsOs2
_chemical_formula_sum   'Ba1 As1 Os2'
_cell_volume   81.42
_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  0.97  0.0  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.55  0.49  0.2  1.0
  Os  Os3  1  0.55  0.49  0.8  1.0

Ba As Os Os
Ba As Os Os 0 1 + o o 2 3 o + o 
BaOs2As crystallizes in the triclinic P1 space group. Ba(1) is bonded in a single-bond geometry to two equivalent Os(1), two equivalent Os(2), and one As(1) atom. There is one shorter (2.77 Å) and one longer (2.95 Å) Ba(1)-Os(1) bond length. There is one shorter (3.44 Å) and one longer (3.59 Å) Ba(1)-Os(2) bond length. The Ba(1)-As(1) bond length is 0.15 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and two equivalent Os(2) atoms. There is one shorter (2.16 Å) and one longer (3.15 Å) Os(1)-Os(2) bond length. In the second Os site, Os(2) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Os(1), two equivalent Os(2), and two equivalent As(1) atoms. Both Os(2)-Os(2) bond lengths are 3.11 Å. There is one shorter (2.77 Å) and one longer (2.95 Å) Os(2)-As(1) bond length. As(1) is bonded in a single-bond geometry to one Ba(1) and two equivalent Os(2) atoms.