data_Ti2CdFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   91.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CdFe
_chemical_formula_sum   'Ti2 Cd1 Fe1'
_cell_volume   63.58
_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
  Ti  Ti2  1  0.37  0.49  0.46  1.0
  Ti  Ti3  1  0.4  0.49  0.68  1.0
  Cd  Cd0  1  0.89  0.0  0.57  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0

data_Ti2CdFe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   91.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ti2CdFe
_chemical_formula_sum   'Ti2 Cd1 Fe1'
_cell_volume   63.58
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ti  Ti0  1  0.37  0.5  0.46  1.0
  Ti  Ti1  1  0.4  0.5  0.68  1.0
  Cd  Cd2  1  0.89  0.0  0.57  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

Ti Ti Cd Fe
Ti2FeCd crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one Ti(2), two equivalent Fe(1), and four equivalent Cd(1) atoms. The Ti(1)-Ti(2) bond length is 1.56 Å. There is one shorter (3.74 Å) and one longer (3.76 Å) Ti(1)-Fe(1) bond length. There are a spread of Ti(1)-Cd(1) bond distances ranging from 2.21-2.29 Å. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one Ti(1), four equivalent Fe(1), and four equivalent Cd(1) atoms. There are a spread of Ti(2)-Fe(1) bond distances ranging from 2.99-3.25 Å. There are a spread of Ti(2)-Cd(1) bond distances ranging from 2.23-2.27 Å. Fe(1) is bonded in a 11-coordinate geometry to two equivalent Ti(1), four equivalent Ti(2), four equivalent Fe(1), and one Cd(1) atom. All Fe(1)-Fe(1) bond lengths are 2.98 Å. The Fe(1)-Cd(1) bond length is 3.07 Å. Cd(1) is bonded to four equivalent Ti(1), four equivalent Ti(2), and one Fe(1) atom to form a mixture of distorted edge and face-sharing CdTi8Fe hexagonal bipyramids.