data_TiZn2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   3.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZn2Cd
_chemical_formula_sum   'Ti1 Zn2 Cd1'
_cell_volume   66.77
_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  Ti1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.0  0.1  0.9  1.0
  Zn  Zn3  1  0.1  0.0  0.9  1.0
  Cd  Cd0  1  0.1  0.1  0.0  1.0

data_TiZn2Cd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   3.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiZn2Cd
_chemical_formula_sum   'Ti2 Zn4 Cd2'
_cell_volume   133.55
_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  0.0  0.0  0.0  1.0
  Zn  Zn1  4  0.05  0.05  0.9  1.0
  Cd  Cd2  2  0.1  0.0  0.0  1.0

Ti Zn Zn Cd
TiCdZn2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiCdZn2 clusters. Ti(1) is bonded in a 3-coordinate geometry to one Cd(1) and two equivalent Zn(1) atoms. The Ti(1)-Cd(1) bond length is 0.58 Å. Both Ti(1)-Zn(1) bond lengths are 0.57 Å. Cd(1) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Zn(1) atoms. Both Cd(1)-Zn(1) bond lengths are 0.57 Å. Zn(1) is bonded in a 3-coordinate geometry to one Ti(1), one Cd(1), and one Zn(1) atom. The Zn(1)-Zn(1) bond length is 0.58 Å.