data_Cd2FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2FeNi
_chemical_formula_sum   'Cd2 Fe1 Ni1'
_cell_volume   65.35
_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  0.97  1.0
  Cd  Cd1  1  0.5  0.5  0.07  1.0
  Fe  Fe2  1  0.0  0.0  0.96  1.0
  Ni  Ni3  1  0.5  0.5  0.16  1.0

data_Cd2FeNi
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   Cd2FeNi
_chemical_formula_sum   'Cd2 Fe1 Ni1'
_cell_volume   65.35
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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  0.97  1.0
  Cd  Cd1  1  0.5  0.5  0.07  1.0
  Fe  Fe2  1  0.0  0.0  0.96  1.0
  Ni  Ni3  1  0.5  0.5  0.16  1.0

Cd Cd Fe Ni
Cd Cd Fe Ni 0 2 o o o 1 3 o o o 
FeCdNiCd is Cubic alpha N2-derived structured and crystallizes in the tetragonal P4mm space group. The structure is zero-dimensional and consists of one cadmium;iron molecule and one NiCd cluster. In the NiCd cluster, Ni(1) is bonded in a single-bond geometry to one Cd(2) atom. The Ni(1)-Cd(2) bond length is 0.65 Å. Cd(2) is bonded in a single-bond geometry to one Ni(1) atom.