data_Na2TiCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   122.2
_cell_angle_beta   122.2
_cell_angle_gamma   86.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TiCd
_chemical_formula_sum   'Na2 Ti1 Cd1'
_cell_volume   97.47
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Na  Na2  1  0.53  0.0  0.91  1.0
  Ti  Ti3  1  0.0  0.0  0.82  1.0
  Cd  Cd0  1  0.0  0.53  0.91  1.0

data_Na2TiCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.23
_cell_angle_alpha   118.9
_cell_angle_beta   118.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TiCd
_chemical_formula_sum   'Na2 Ti1 Cd1'
_cell_volume   97.47
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.09  0.0  0.62  1.0
  Ti  Ti2  1  0.18  0.0  0.18  1.0
  Cd  Cd3  1  0.62  0.53  0.62  1.0

Na Na Ti Cd
Na2TiCd is Copper structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Na2TiCd cluster. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted single-bond geometry to one Ti(1) and one Cd(1) atom. The Na(1)-Ti(1) bond length is 0.96 Å. The Na(1)-Cd(1) bond length is 2.26 Å. In the second Na site, Na(2) is bonded in a 1-coordinate geometry to one Ti(1) atom. The Na(2)-Ti(1) bond length is 2.53 Å. Ti(1) is bonded in a single-bond geometry to one Na(1) and one Na(2) atom. Cd(1) is bonded in a 1-coordinate geometry to one Na(1) atom.