data_BaCoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   3.29
_cell_length_c   7.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCoOs2
_chemical_formula_sum   'Ba1 Co1 Os2'
_cell_volume   74.51
_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  0.91  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.45  0.64  0.27  1.0
  Os  Os3  1  0.45  0.64  0.54  1.0

data_BaCoOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   3.29
_cell_length_c   7.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCoOs2
_chemical_formula_sum   'Ba1 Co1 Os2'
_cell_volume   74.51
_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  0.91  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.45  0.64  0.27  1.0
  Os  Os3  1  0.45  0.64  0.54  1.0

Ba Co Os Os
BaOs2Co crystallizes in the triclinic P1 space group. Ba(1) is bonded in a single-bond geometry to four equivalent Os(2) and one Co(1) atom. There are a spread of Ba(1)-Os(2) bond distances ranging from 3.34-3.89 Å. The Ba(1)-Co(1) bond length is 0.72 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 9-coordinate geometry to one Os(2), four equivalent Os(1), and four equivalent Co(1) atoms. The Os(1)-Os(2) bond length is 2.13 Å. There are two shorter (2.90 Å) and two longer (3.29 Å) Os(1)-Os(1) bond lengths. There are a spread of Os(1)-Co(1) bond distances ranging from 2.75-3.39 Å. In the second Os site, Os(2) is bonded in a 9-coordinate geometry to four equivalent Ba(1), one Os(1), and four equivalent Os(2) atoms. There are two shorter (2.90 Å) and two longer (3.29 Å) Os(2)-Os(2) bond lengths. Co(1) is bonded in a single-bond geometry to one Ba(1) and four equivalent Os(1) atoms.