data_FeSbOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSbOs2
_chemical_formula_sum   'Fe1 Sb1 Os2'
_cell_volume   60.05
_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
  Fe  Fe0  1  0.0  0.0  0.51  1.0
  Sb  Sb3  1  0.44  0.44  0.77  1.0
  Os  Os1  1  0.44  0.44  0.21  1.0
  Os  Os2  1  0.0  0.0  0.67  1.0

data_FeSbOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeSbOs2
_chemical_formula_sum   'Fe2 Sb2 Os4'
_cell_volume   120.1
_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
  Fe  Fe0  2  0.0  0.0  0.51  1.0
  Sb  Sb1  2  0.44  0.0  0.77  1.0
  Os  Os2  2  0.0  0.0  0.67  1.0
  Os  Os3  2  0.44  0.0  0.21  1.0

Fe Sb Os Os
Fe Sb Os Os 0 3 o o o 0 2 o o o 0 2 o - o 0 2 - o o 0 2 - - o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 2 o o + 2 2 + o o 2 2 o + o 
Os2FeSb crystallizes in the monoclinic Cm space group. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 9-coordinate geometry to four equivalent Os(1), four equivalent Fe(1), and one Sb(1) atom. All Os(1)-Os(1) bond lengths are 2.88 Å. There are a spread of Os(1)-Fe(1) bond distances ranging from 2.84-3.19 Å. The Os(1)-Sb(1) bond length is 3.21 Å. In the second Os site, Os(2) is bonded in a distorted single-bond geometry to one Fe(1) and four equivalent Sb(1) atoms. The Os(2)-Fe(1) bond length is 1.14 Å. There are a spread of Os(2)-Sb(1) bond distances ranging from 1.91-2.39 Å. Fe(1) is bonded in a single-bond geometry to one Os(2) and four equivalent Os(1) atoms. Sb(1) is bonded in a 5-coordinate geometry to one Os(1) and four equivalent Os(2) atoms.