data_CdCuMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuMo2
_chemical_formula_sum   'Cd1 Cu1 Mo2'
_cell_volume   63.09
_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  0.28  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.36  0.36  0.94  1.0
  Mo  Mo3  1  0.36  0.36  0.62  1.0

data_CdCuMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdCuMo2
_chemical_formula_sum   'Cd2 Cu2 Mo4'
_cell_volume   126.18
_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  0.28  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.36  0.0  0.62  1.0
  Mo  Mo3  2  0.36  0.0  0.94  1.0

Cd Cu Mo Mo
Mo2CuCd crystallizes in the monoclinic Cm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 1-coordinate geometry to one Mo(2) and one Cu(1) atom. The Mo(1)-Mo(2) bond length is 2.72 Å. The Mo(1)-Cu(1) bond length is 1.47 Å. In the second Mo site, Mo(2) is bonded in a 8-coordinate geometry to one Mo(1), four equivalent Mo(2), and three equivalent Cd(1) atoms. All Mo(2)-Mo(2) bond lengths are 2.72 Å. There is one shorter (3.23 Å) and two longer (3.54 Å) Mo(2)-Cd(1) bond lengths. Cu(1) is bonded in a 1-coordinate geometry to one Mo(1) and one Cd(1) atom. The Cu(1)-Cd(1) bond length is 2.38 Å. Cd(1) is bonded in a distorted single-bond geometry to three equivalent Mo(2) and one Cu(1) atom.