data_Ti2CdOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CdOs
_chemical_formula_sum   'Ti2 Cd1 Os1'
_cell_volume   67.14
_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  Ti2  1  0.55  0.55  0.0  1.0
  Ti  Ti3  1  0.55  0.55  0.98  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.49  1.0

data_Ti2CdOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2CdOs
_chemical_formula_sum   'Ti4 Cd2 Os2'
_cell_volume   134.28
_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  0.05  0.5  0.0  1.0
  Ti  Ti1  2  0.05  0.5  0.98  1.0
  Cd  Cd2  2  0.0  0.0  0.0  1.0
  Os  Os3  2  0.0  0.0  0.49  1.0

Ti Ti Cd Os
Ti Ti Cd Os 0 1 o o - 0 2 + + o 0 2 + o o 0 2 o + o 0 2 o o o 1 2 + + + 1 2 + o + 1 2 o + + 1 2 o o + 2 3 o o o 2 3 o o - 3 3 + o o 3 3 o + o 
Ti2OsCd crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a single-bond geometry to one Ti(2) and four equivalent Cd(1) atoms. The Ti(1)-Ti(2) bond length is 0.19 Å. There are a spread of Ti(1)-Cd(1) bond distances ranging from 1.97-2.42 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one Ti(1) and four equivalent Cd(1) atoms. There are a spread of Ti(2)-Cd(1) bond distances ranging from 1.98-2.42 Å. Os(1) is bonded to four equivalent Os(1) and two equivalent Cd(1) atoms to form a mixture of corner and edge-sharing OsCd2Os4 octahedra. The corner-sharing octahedra are not tilted. All Os(1)-Os(1) bond lengths are 3.10 Å. There is one shorter (3.42 Å) and one longer (3.56 Å) Os(1)-Cd(1) bond length. Cd(1) is bonded in a 10-coordinate geometry to four equivalent Ti(1), four equivalent Ti(2), and two equivalent Os(1) atoms.