data_CdFeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   131.45
_cell_angle_beta   131.45
_cell_angle_gamma   71.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFeMo2
_chemical_formula_sum   'Cd1 Fe1 Mo2'
_cell_volume   61.67
_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  0.98  0.96  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.98  0.0  0.96  1.0
  Mo  Mo3  1  0.0  0.0  0.92  1.0

data_CdFeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   4.82
_cell_angle_alpha   114.28
_cell_angle_beta   114.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFeMo2
_chemical_formula_sum   'Cd1 Fe1 Mo2'
_cell_volume   61.67
_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  0.02  0.98  0.02  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.04  0.0  0.02  1.0
  Mo  Mo3  1  0.08  0.0  0.08  1.0

Cd Fe Mo Mo
Cd Fe Mo Mo 0 2 - + o 0 1 o + + 0 3 o + o 1 2 - o - 2 3 + o o 
Mo2FeCd is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mo2FeCd cluster. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a single-bond geometry to one Mo(2), one Fe(1), and one Cd(1) atom. The Mo(1)-Mo(2) bond length is 0.25 Å. The Mo(1)-Fe(1) bond length is 0.14 Å. The Mo(1)-Cd(1) bond length is 0.10 Å. In the second Mo site, Mo(2) is bonded in a distorted single-bond geometry to one Mo(1) and one Cd(1) atom. The Mo(2)-Cd(1) bond length is 0.25 Å. Fe(1) is bonded in a 2-coordinate geometry to one Mo(1) and one Cd(1) atom. The Fe(1)-Cd(1) bond length is 0.14 Å. Cd(1) is bonded in a single-bond geometry to one Mo(1), one Mo(2), and one Fe(1) atom.