data_TiIn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIn2Os
_chemical_formula_sum   'Ti1 In2 Os1'
_cell_volume   73.17
_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
  In  In0  1  0.62  0.62  0.89  1.0
  In  In1  1  0.62  0.62  0.12  1.0
  Os  Os2  1  0.0  0.0  0.5  1.0

data_TiIn2Os
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   7.01
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   TiIn2Os
_chemical_formula_sum   'Ti2 In4 Os2'
_cell_volume   146.33
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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
  In  In1  4  0.11  0.0  0.62  1.0
  Os  Os2  2  0.5  0.0  0.0  1.0

Ti In In Os
Ti In In Os 0 1 - - - 0 2 - - o 0 3 o o o 0 3 o o - 1 2 o o + 1 3 + + o 1 3 + o o 1 3 o + o 1 3 o o o 2 3 + + o 2 3 + o o 2 3 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
TiOsIn2 crystallizes in the monoclinic Cm space group. Ti(1) is bonded in a 2-coordinate geometry to two equivalent Os(1), one In(1), and one In(2) atom. There is one shorter (3.48 Å) and one longer (3.52 Å) Ti(1)-Os(1) bond length. The Ti(1)-In(1) bond length is 1.92 Å. The Ti(1)-In(2) bond length is 1.94 Å. Os(1) is bonded to two equivalent Ti(1), four equivalent Os(1), three equivalent In(1), and three equivalent In(2) atoms to form a mixture of distorted edge, face, and corner-sharing OsTi2In6Os4 cuboctahedra. All Os(1)-Os(1) bond lengths are 3.23 Å. There is one shorter (3.23 Å) and two longer (3.58 Å) Os(1)-In(1) bond lengths. There is one shorter (3.23 Å) and two longer (3.58 Å) Os(1)-In(2) bond lengths. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 2-coordinate geometry to one Ti(1), three equivalent Os(1), and one In(2) atom. The In(1)-In(2) bond length is 1.59 Å. In the second In site, In(2) is bonded in a 2-coordinate geometry to one Ti(1), three equivalent Os(1), and one In(1) atom.