data_CdInFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInFe2
_chemical_formula_sum   'Cd1 In1 Fe2'
_cell_volume   65.87
_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  0.21  0.21  0.21  1.0
  In  In3  1  0.6  0.6  0.6  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.81  0.81  0.81  1.0

data_CdInFe2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   11.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdInFe2
_chemical_formula_sum   'Cd3 In3 Fe6'
_cell_volume   197.61
_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  0.79  1.0
  In  In1  3  0.0  0.0  0.4  1.0
  Fe  Fe2  3  0.0  0.0  -0.0  1.0
  Fe  Fe3  3  0.0  0.0  0.19  1.0

Cd In Fe Fe
Fe2CdIn crystallizes in the trigonal R3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Fe(2), four equivalent Cd(1), and three equivalent In(1) atoms. The Fe(1)-Fe(2) bond length is 2.13 Å. There is one shorter (2.28 Å) and three longer (2.98 Å) Fe(1)-Cd(1) bond lengths. All Fe(1)-In(1) bond lengths are 2.71 Å. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one Fe(1), three equivalent Cd(1), and four equivalent In(1) atoms. All Fe(2)-Cd(1) bond lengths are 2.71 Å. There is one shorter (2.28 Å) and three longer (2.98 Å) Fe(2)-In(1) bond lengths. Cd(1) is bonded in a 10-coordinate geometry to three equivalent Fe(2), four equivalent Fe(1), and three equivalent In(1) atoms. All Cd(1)-In(1) bond lengths are 2.71 Å. In(1) is bonded in a 10-coordinate geometry to three equivalent Fe(1), four equivalent Fe(2), and three equivalent Cd(1) atoms.