data_TiIr2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.1
_cell_length_b   9.1
_cell_length_c   9.1
_cell_angle_alpha   17.44
_cell_angle_beta   17.44
_cell_angle_gamma   17.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIr2Os
_chemical_formula_sum   'Ti1 Ir2 Os1'
_cell_volume   59.03
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.72  1.0
  Ir  Ir1  1  0.0  0.0  0.16  1.0
  Os  Os2  1  0.0  0.0  0.44  1.0

data_TiIr2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   2.76
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   100.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiIr2Os
_chemical_formula_sum   'Ti2 Ir4 Os2'
_cell_volume   118.06
_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
  Ti  Ti0  2  0.0  0.0  0.0  1.0
  Os  Os1  2  -0.0  0.0  0.56  1.0
  Ir  Ir2  2  -0.0  0.0  0.84  1.0
  Ir  Ir3  2  -0.0  0.0  0.28  1.0

Ti Ir Ir Os
TiOsIr2 crystallizes in the monoclinic Cm space group. Ti(1) is bonded in a distorted single-bond geometry to one Ir(1) and one Ir(2) atom. The Ti(1)-Ir(1) bond length is 2.59 Å. The Ti(1)-Ir(2) bond length is 1.45 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded to six Os(1,1); one Ir(1); and one Ir(2) atom to form a mixture of distorted corner and edge-sharing OsIr2Os6 hexagonal bipyramids. All Os(1)-Os(1,1) bond lengths are 2.76 Å. The Os(1)-Ir(1) bond length is 2.53 Å. The Os(1)-Ir(2) bond length is 2.53 Å. In the second Os site, Os(1) is bonded to six Os(1,1); one Ir(1); and one Ir(2) atom to form a mixture of distorted corner and edge-sharing OsIr2Os6 hexagonal bipyramids. Both Os(1)-Os(1) bond lengths are 2.76 Å. The Os(1)-Ir(1) bond length is 2.53 Å. The Os(1)-Ir(2) bond length is 2.53 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted single-bond geometry to one Ti(1) and one Os(1) atom. In the second Ir site, Ir(2) is bonded in a single-bond geometry to one Ti(1) and one Os(1) atom.