data_Ti2CdOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   3.14
_cell_angle_alpha   90.92
_cell_angle_beta   90.92
_cell_angle_gamma   93.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CdOs
_chemical_formula_sum   'Ti2 Cd1 Os1'
_cell_volume   65.28
_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  0.53  0.66  0.57  1.0
  Ti  Ti3  1  0.53  0.34  0.57  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.13  0.0  0.0  1.0

data_Ti2CdOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   93.27
_cell_angle_beta   90.92
_cell_angle_gamma   90.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CdOs
_chemical_formula_sum   'Ti2 Cd1 Os1'
_cell_volume   65.28
_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  Ti0  1  0.57  0.53  0.34  1.0
  Ti  Ti1  1  0.57  0.53  0.66  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  -0.0  0.13  0.0  1.0

Ti Ti Cd Os
Ti Ti Cd Os 0 1 o o o 2 3 o o o 
Ti2OsCd crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Os(1), and two equivalent Cd(1) atoms. Both Ti(1)-Ti(1) bond lengths are 3.14 Å. There is one shorter (1.45 Å) and one longer (3.11 Å) Ti(1)-Ti(2) bond length. There is one shorter (2.80 Å) and one longer (3.03 Å) Ti(1)-Os(1) bond length. There is one shorter (2.88 Å) and one longer (3.17 Å) Ti(1)-Cd(1) bond length. In the second Ti site, Ti(2) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and two equivalent Os(1) atoms. There is one shorter (2.71 Å) and one longer (2.89 Å) Ti(2)-Os(1) bond length. Os(1) is bonded in a single-bond geometry to two equivalent Ti(1), two equivalent Ti(2), and one Cd(1) atom. The Os(1)-Cd(1) bond length is 0.61 Å. Cd(1) is bonded in a single-bond geometry to two equivalent Ti(1) and one Os(1) atom.