data_TiOsRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.09
_cell_length_b   9.09
_cell_length_c   9.09
_cell_angle_alpha   17.41
_cell_angle_beta   17.41
_cell_angle_gamma   17.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiOsRh2
_chemical_formula_sum   'Ti1 Os1 Rh2'
_cell_volume   58.75
_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
  Os  Os0  1  0.0  0.0  0.43  1.0
  Rh  Rh1  1  0.0  0.0  0.13  1.0
  Rh  Rh2  1  0.0  0.0  0.72  1.0

data_TiOsRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.77
_cell_length_b   2.75
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   100.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiOsRh2
_chemical_formula_sum   'Ti2 Os2 Rh4'
_cell_volume   117.51
_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  0.57  1.0
  Rh  Rh2  2  0.0  0.0  0.87  1.0
  Rh  Rh3  2  0.0  0.0  0.28  1.0

Ti Os Rh Rh
Ti Os Rh Rh 0 2 o o o 0 3 o o - 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 1 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
TiOsRh2 crystallizes in the monoclinic Cm space group. Ti(1) is bonded in a single-bond geometry to one Rh(1) and one Rh(2) atom. The Ti(1)-Rh(1) bond length is 1.22 Å. The Ti(1)-Rh(2) bond length is 2.51 Å. Os(1) is bonded to six equivalent Os(1), one Rh(1), and one Rh(2) atom to form a mixture of distorted edge and corner-sharing OsOs6Rh2 hexagonal bipyramids. All Os(1)-Os(1) bond lengths are 2.75 Å. The Os(1)-Rh(1) bond length is 2.68 Å. The Os(1)-Rh(2) bond length is 2.68 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a single-bond geometry to one Ti(1) and one Os(1) atom. In the second Rh site, Rh(2) is bonded in a 1-coordinate geometry to one Ti(1) and one Os(1) atom.