data_Ti2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   6.91
_cell_angle_alpha   105.9
_cell_angle_beta   105.9
_cell_angle_gamma   31.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Cd
_chemical_formula_sum   'Ti4 Cd2'
_cell_volume   111.26
_cell_formula_units_Z   2
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  0.08  0.0  0.35  1.0
  Ti  Ti3  1  0.61  0.0  0.83  1.0
  Ti  Ti4  1  0.38  0.0  0.79  1.0
  Ti  Ti5  1  0.9  0.0  0.27  1.0
  Cd  Cd0  1  0.31  0.0  0.16  1.0
  Cd  Cd1  1  0.67  0.0  0.46  1.0

data_Ti2Cd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.07
_cell_length_b   5.69
_cell_length_c   6.91
_cell_angle_alpha   105.9
_cell_angle_beta   90.0
_cell_angle_gamma   105.65
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ti2Cd
_chemical_formula_sum   'Ti4 Cd2'
_cell_volume   111.26
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.09  0.54  1.0
  Ti  Ti1  2  0.0  0.39  0.98  1.0
  Cd  Cd2  2  0.0  0.32  0.35  1.0

Ti Ti Ti Ti Cd Cd
Ti2Cd crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one Ti cluster and one TiCd cluster. In the Ti cluster, Ti(2) is bonded in a 1-coordinate geometry to one Ti(2) atom. The Ti(2)-Ti(2) bond length is 1.24 Å. In the TiCd cluster, Ti(1) is bonded in a distorted water-like geometry to one Ti(1) and one Cd(1) atom. The Ti(1)-Ti(1) bond length is 1.01 Å. The Ti(1)-Cd(1) bond length is 2.10 Å. Cd(1) is bonded in a 1-coordinate geometry to one Ti(1) atom.