data_Cd2CoMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   151.23
_cell_angle_beta   129.28
_cell_angle_gamma   59.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CoMo
_chemical_formula_sum   'Cd2 Co1 Mo1'
_cell_volume   68.49
_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  0.82  1.0
  Cd  Cd1  1  0.42  0.0  0.73  1.0
  Co  Co2  1  0.0  0.0  0.13  1.0
  Mo  Mo3  1  0.0  0.44  0.13  1.0

data_Cd2CoMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.88
_cell_length_c   5.7
_cell_angle_alpha   115.36
_cell_angle_beta   104.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CoMo
_chemical_formula_sum   'Cd2 Co1 Mo1'
_cell_volume   68.49
_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  0.73  0.32  1.0
  Cd  Cd1  1  0.0  0.82  0.82  1.0
  Co  Co2  1  0.0  0.13  0.13  1.0
  Mo  Mo3  1  0.56  0.69  0.69  1.0

Cd Cd Co Mo
Cd Cd Co Mo 0 3 o o + 0 1 o o o 0 1 - o o 0 2 o o + 1 3 o - o 1 3 o o + 1 2 o o o 1 2 + o + 1 1 o + + 
MoCoCd2 crystallizes in the triclinic P1 space group. Mo(1) is bonded in a 1-coordinate geometry to one Cd(2) and two equivalent Cd(1) atoms. The Mo(1)-Cd(2) bond length is 2.39 Å. There is one shorter (1.30 Å) and one longer (1.94 Å) Mo(1)-Cd(1) bond length. Co(1) is bonded in a distorted single-bond geometry to one Cd(1) and two equivalent Cd(2) atoms. The Co(1)-Cd(1) bond length is 1.72 Å. There is one shorter (2.58 Å) and one longer (2.69 Å) Co(1)-Cd(2) bond length. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted trigonal planar geometry to two equivalent Mo(1) and one Co(1) atom. In the second Cd site, Cd(2) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Co(1) atoms.