data_FeOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOs3
_chemical_formula_sum   'Fe1 Os3'
_cell_volume   56.99
_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  0.0  1.0
  Os  Os1  1  0.38  0.0  0.18  1.0
  Os  Os2  1  0.0  0.0  0.52  1.0
  Os  Os3  1  0.38  0.0  0.86  1.0

data_FeOs3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOs3
_chemical_formula_sum   'Fe1 Os3'
_cell_volume   56.99
_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  0.0  1.0
  Os  Os1  1  0.0  0.0  0.52  1.0
  Os  Os2  1  0.38  0.0  0.18  1.0
  Os  Os3  1  0.38  0.0  0.86  1.0

Fe Os Os Os
FeOs3 crystallizes in the triclinic P1 space group. There are three inequivalent Os sites. In the first Os site, Os(1) is bonded in a 2-coordinate geometry to two equivalent Os(2) and two equivalent Fe(1) atoms. There is one shorter (3.23 Å) and one longer (3.47 Å) Os(1)-Os(2) bond length. There is one shorter (1.92 Å) and one longer (2.30 Å) Os(1)-Fe(1) bond length. In the second Os site, Os(2) is bonded in a 10-coordinate geometry to two equivalent Os(1), two equivalent Os(3), and six equivalent Os(2) atoms. There is one shorter (3.23 Å) and one longer (3.47 Å) Os(2)-Os(3) bond length. There are four shorter (2.67 Å) and two longer (2.77 Å) Os(2)-Os(2) bond lengths. In the third Os site, Os(3) is bonded in a distorted L-shaped geometry to two equivalent Os(2) and two equivalent Fe(1) atoms. There is one shorter (1.65 Å) and one longer (2.09 Å) Os(3)-Fe(1) bond length. Fe(1) is bonded in a 4-coordinate geometry to two equivalent Os(1) and two equivalent Os(3) atoms.