data_NdCdFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdCdFe2
_chemical_formula_sum   'Nd1 Cd1 Fe2'
_cell_volume   71.36
_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
  Nd  Nd3  1  0.29  0.29  0.29  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.94  0.94  0.94  1.0
  Fe  Fe2  1  0.65  0.65  0.65  1.0

data_NdCdFe2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   11.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NdCdFe2
_chemical_formula_sum   'Nd3 Cd3 Fe6'
_cell_volume   214.09
_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
  Nd  Nd0  3  0.0  0.0  0.71  1.0
  Cd  Cd1  3  0.0  0.0  -0.0  1.0
  Fe  Fe2  3  0.0  0.0  0.06  1.0
  Fe  Fe3  3  0.0  0.0  0.35  1.0

Nd Cd Fe Fe
NdFe2Cd crystallizes in the trigonal R3m space group. Nd(1) is bonded in a 11-coordinate geometry to three equivalent Fe(1), four equivalent Fe(2), and four equivalent Cd(1) atoms. All Nd(1)-Fe(1) bond lengths are 2.70 Å. There are three shorter (2.70 Å) and one longer (4.04 Å) Nd(1)-Fe(2) bond length. There are three shorter (2.73 Å) and one longer (3.33 Å) Nd(1)-Cd(1) bond length. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to three equivalent Nd(1) and one Cd(1) atom. The Fe(1)-Cd(1) bond length is 0.70 Å. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to four equivalent Nd(1) atoms. Cd(1) is bonded in a single-bond geometry to four equivalent Nd(1) and one Fe(1) atom.