data_NaCdFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   3.16
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   93.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCdFe2
_chemical_formula_sum   'Na1 Cd1 Fe2'
_cell_volume   70.38
_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
  Na  Na3  1  0.76  0.0  0.55  1.0
  Cd  Cd0  1  0.06  0.58  0.95  1.0
  Fe  Fe1  1  1.0  0.0  0.34  1.0
  Fe  Fe2  1  0.47  0.58  0.34  1.0

data_NaCdFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   3.16
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   93.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCdFe2
_chemical_formula_sum   'Na1 Cd1 Fe2'
_cell_volume   70.38
_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
  Na  Na0  1  0.76  0.0  0.55  1.0
  Cd  Cd1  1  0.06  0.58  0.95  1.0
  Fe  Fe2  1  0.47  0.58  0.34  1.0
  Fe  Fe3  1  1.0  0.0  0.34  1.0

Na Cd Fe Fe
Na Cd Fe Fe 0 2 o o o 0 1 + o o 0 1 + - o 0 3 o - o 1 2 - o + 1 2 - + + 1 3 - o + 1 3 o o + 1 1 + o o 1 1 o + o 2 3 o - o 2 3 + - o 2 3 + o o 2 3 o o o 
NaFe2Cd crystallizes in the triclinic P1 space group. Na(1) is bonded in a 1-coordinate geometry to one Fe(1), two equivalent Fe(2), and two equivalent Cd(1) atoms. The Na(1)-Fe(1) bond length is 1.75 Å. There is one shorter (2.15 Å) and one longer (2.50 Å) Na(1)-Fe(2) bond length. There is one shorter (3.38 Å) and one longer (3.61 Å) Na(1)-Cd(1) bond length. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted single-bond geometry to one Na(1), four equivalent Fe(2), and one Cd(1) atom. There are a spread of Fe(1)-Fe(2) bond distances ranging from 1.94-2.42 Å. The Fe(1)-Cd(1) bond length is 3.20 Å. In the second Fe site, Fe(2) is bonded in a 7-coordinate geometry to two equivalent Na(1), four equivalent Fe(1), and one Cd(1) atom. The Fe(2)-Cd(1) bond length is 3.10 Å. Cd(1) is bonded in a 8-coordinate geometry to two equivalent Na(1), one Fe(1), one Fe(2), and four equivalent Cd(1) atoms. There are two shorter (2.99 Å) and two longer (3.16 Å) Cd(1)-Cd(1) bond lengths.