data_BaFe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.58
_cell_length_b   9.58
_cell_length_c   9.58
_cell_angle_alpha   17.6
_cell_angle_beta   17.6
_cell_angle_gamma   17.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaFe2Os
_chemical_formula_sum   'Ba1 Fe2 Os1'
_cell_volume   70.11
_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  0.16  1.0
  Fe  Fe1  1  0.0  0.0  0.58  1.0
  Fe  Fe2  1  0.0  0.0  0.11  1.0
  Os  Os3  1  0.0  0.0  0.57  1.0

data_BaFe2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.08
_cell_length_b   2.93
_cell_length_c   9.58
_cell_angle_alpha   90.0
_cell_angle_beta   100.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaFe2Os
_chemical_formula_sum   'Ba2 Fe4 Os2'
_cell_volume   140.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.84  1.0
  Fe  Fe1  2  -0.0  0.0  0.42  1.0
  Fe  Fe2  2  0.0  0.0  0.89  1.0
  Os  Os3  2  -0.0  0.0  0.43  1.0

Ba Fe Fe Os
Ba Fe Fe Os 0 2 o o o 1 3 o o o 
BaFeOsFe is alpha carbon monoxide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two iron;osmium molecules and two BaFe clusters. In each BaFe cluster, Ba(1) is bonded in a single-bond geometry to one Fe(2) atom. The Ba(1)-Fe(2) bond length is 0.47 Å. Fe(2) is bonded in a single-bond geometry to one Ba(1) atom.