data_TiCd2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   4.23
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCd2Sb
_chemical_formula_sum   'Ti1 Cd2 Sb1'
_cell_volume   85.15
_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
  Cd  Cd0  1  0.0  0.12  0.46  1.0
  Cd  Cd1  1  0.04  0.0  0.46  1.0
  Sb  Sb2  1  0.04  0.12  0.0  1.0

data_TiCd2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.23
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCd2Sb
_chemical_formula_sum   'Ti1 Cd2 Sb1'
_cell_volume   85.15
_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  0.0  0.0  0.0  1.0
  Cd  Cd1  1  -0.0  0.12  0.46  1.0
  Cd  Cd2  1  0.04  0.0  0.46  1.0
  Sb  Sb3  1  0.04  0.12  0.0  1.0

Ti Cd Cd Sb
Ti Cd Cd Sb 0 3 o o o 1 2 o o o 
TiSb(Cd)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Cd cluster and one TiSb cluster. In the Cd cluster, there are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a single-bond geometry to one Cd(2) atom. The Cd(1)-Cd(2) bond length is 0.53 Å. In the second Cd site, Cd(2) is bonded in a single-bond geometry to one Cd(1) atom. In the TiSb cluster, Ti(1) is bonded in a single-bond geometry to one Sb(1) atom. The Ti(1)-Sb(1) bond length is 0.53 Å. Sb(1) is bonded in a single-bond geometry to one Ti(1) atom.