data_CdFe4Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe4Co
_chemical_formula_sum   'Cd1 Fe4 Co1'
_cell_volume   78.16
_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  0.09  0.09  0.09  1.0
  Fe  Fe2  1  0.54  0.24  0.24  1.0
  Fe  Fe3  1  0.24  0.24  0.54  1.0
  Fe  Fe4  1  0.24  0.54  0.24  1.0
  Fe  Fe5  1  0.54  0.54  0.54  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0

data_CdFe4Co
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   11.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdFe4Co
_chemical_formula_sum   'Cd3 Fe12 Co3'
_cell_volume   234.48
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.91  1.0
  Fe  Fe1  9  0.1  0.2  0.66  1.0
  Fe  Fe2  3  0.0  0.0  0.46  1.0
  Co  Co3  3  0.0  0.0  0.0  1.0

Cd Fe Fe Fe Fe Co
Fe4CoCd crystallizes in the trigonal R3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to two equivalent Fe(1), three equivalent Fe(2), and one Co(1) atom. Both Fe(1)-Fe(1) bond lengths are 1.45 Å. There is one shorter (2.51 Å) and two longer (2.91 Å) Fe(1)-Fe(2) bond lengths. The Fe(1)-Co(1) bond length is 1.94 Å. In the second Fe site, Fe(2) is bonded in a 15-coordinate geometry to nine equivalent Fe(1), three equivalent Co(1), and three equivalent Cd(1) atoms. All Fe(2)-Co(1) bond lengths are 3.12 Å. All Fe(2)-Cd(1) bond lengths are 3.12 Å. Co(1) is bonded in a single-bond geometry to three equivalent Fe(1), three equivalent Fe(2), and one Cd(1) atom. The Co(1)-Cd(1) bond length is 1.06 Å. Cd(1) is bonded in a single-bond geometry to three equivalent Fe(2) and one Co(1) atom.