data_CdFeCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   148.35
_cell_angle_beta   127.83
_cell_angle_gamma   62.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFeCu2
_chemical_formula_sum   'Cd1 Fe1 Cu2'
_cell_volume   57.63
_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  0.45  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.42  0.0  0.09  1.0
  Cu  Cu2  1  0.0  0.29  0.36  1.0

data_CdFeCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.57
_cell_length_c   5.2
_cell_angle_alpha   116.09
_cell_angle_beta   105.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFeCu2
_chemical_formula_sum   'Cd1 Fe1 Cu2'
_cell_volume   57.63
_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  0.45  0.45  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.0  0.09  0.67  1.0
  Cu  Cu3  1  0.71  0.07  0.07  1.0

Cd Fe Cu Cu
Cd Fe Cu Cu 0 3 o o o 0 1 o o o 0 2 - o o 1 3 o o o 1 2 o o o 
FeCu2Cd crystallizes in the triclinic P1 space group. Fe(1) is bonded in a distorted single-bond geometry to one Cu(1) and two equivalent Cu(2) atoms. The Fe(1)-Cu(1) bond length is 1.92 Å. There is one shorter (0.98 Å) and one longer (1.96 Å) Fe(1)-Cu(2) bond length. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Cd(1) atoms. There is one shorter (2.39 Å) and one longer (2.65 Å) Cu(1)-Cd(1) bond length. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one Cd(1) atom. The Cu(2)-Cd(1) bond length is 1.90 Å. Cd(1) is bonded in a 3-coordinate geometry to one Cu(2) and two equivalent Cu(1) atoms.