data_TiCd2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   133.13
_cell_angle_beta   133.13
_cell_angle_gamma   68.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCd2Mo
_chemical_formula_sum   'Ti1 Cd2 Mo1'
_cell_volume   72.58
_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  0.06  0.0  0.14  1.0
  Cd  Cd1  1  0.0  0.0  0.28  1.0
  Mo  Mo2  1  0.0  0.06  0.14  1.0

data_TiCd2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   5.18
_cell_angle_alpha   113.43
_cell_angle_beta   113.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCd2Mo
_chemical_formula_sum   'Ti1 Cd2 Mo1'
_cell_volume   72.58
_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  0.14  0.08  0.08  1.0
  Cd  Cd2  1  0.28  0.28  0.28  1.0
  Mo  Mo3  1  0.08  0.14  0.08  1.0

Ti Cd Cd Mo
TiMoCd2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiMoCd2 cluster. Ti(1) is bonded in a 2-coordinate geometry to one Mo(1) and one Cd(1) atom. The Ti(1)-Mo(1) bond length is 0.56 Å. The Ti(1)-Cd(1) bond length is 0.56 Å. Mo(1) is bonded in a single-bond geometry to one Ti(1), one Cd(1), and one Cd(2) atom. The Mo(1)-Cd(1) bond length is 0.34 Å. The Mo(1)-Cd(2) bond length is 0.96 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a single-bond geometry to one Ti(1) and one Mo(1) atom. In the second Cd site, Cd(2) is bonded in a distorted single-bond geometry to one Mo(1) atom.