data_Cd4Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.87
_cell_length_b   13.87
_cell_length_c   13.87
_cell_angle_alpha   167.08
_cell_angle_beta   167.08
_cell_angle_gamma   18.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd4Mo3
_chemical_formula_sum   'Cd4 Mo3'
_cell_volume   133.31
_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
  Cd  Cd0  1  0.0  0.0  0.15  1.0
  Cd  Cd1  1  0.0  0.0  0.71  1.0
  Cd  Cd2  1  0.0  0.0  0.67  1.0
  Cd  Cd3  1  0.0  0.0  0.24  1.0
  Mo  Mo4  1  0.0  0.0  0.0  1.0
  Mo  Mo5  1  0.0  0.0  0.51  1.0
  Mo  Mo6  1  0.0  0.0  0.88  1.0

data_Cd4Mo3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   13.87
_cell_angle_alpha   90.0
_cell_angle_beta   99.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd4Mo3
_chemical_formula_sum   'Cd8 Mo6'
_cell_volume   266.62
_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
  Cd  Cd0  2  0.0  0.0  0.29  1.0
  Cd  Cd1  2  0.0  0.0  0.33  1.0
  Cd  Cd2  2  0.0  0.0  0.76  1.0
  Cd  Cd3  2  0.0  0.0  0.85  1.0
  Mo  Mo4  2  0.0  0.0  0.0  1.0
  Mo  Mo5  2  0.0  0.0  0.12  1.0
  Mo  Mo6  2  0.0  0.0  0.49  1.0

Cd Cd Cd Cd Mo Mo Mo
Mo3Cd4 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mo3Cd4 clusters. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted linear geometry to one Mo(3) and one Cd(1) atom. The Mo(1)-Mo(3) bond length is 1.66 Å. The Mo(1)-Cd(1) bond length is 2.04 Å. In the second Mo site, Mo(2) is bonded in a single-bond geometry to one Cd(3) atom. The Mo(2)-Cd(3) bond length is 2.30 Å. In the third Mo site, Mo(3) is bonded in a linear geometry to one Mo(1) and one Cd(2) atom. The Mo(3)-Cd(2) bond length is 2.30 Å. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a linear geometry to one Mo(1) and one Cd(4) atom. The Cd(1)-Cd(4) bond length is 1.29 Å. In the second Cd site, Cd(2) is bonded in a linear geometry to one Mo(3) and one Cd(3) atom. The Cd(2)-Cd(3) bond length is 0.58 Å. In the third Cd site, Cd(3) is bonded in a linear geometry to one Mo(2) and one Cd(2) atom. In the fourth Cd site, Cd(4) is bonded in a single-bond geometry to one Cd(1) atom.