data_Cd2FePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   4.96
_cell_angle_alpha   105.07
_cell_angle_beta   105.07
_cell_angle_gamma   32.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2FePt
_chemical_formula_sum   'Cd2 Fe1 Pt1'
_cell_volume   69.57
_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  0.65  0.0  0.66  1.0
  Cd  Cd1  1  0.34  0.0  0.32  1.0
  Fe  Fe2  1  0.53  0.0  0.39  1.0
  Pt  Pt3  1  0.3  0.0  0.57  1.0

data_Cd2FePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.96
_cell_length_c   5.24
_cell_angle_alpha   105.07
_cell_angle_beta   106.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2FePt
_chemical_formula_sum   'Cd2 Fe1 Pt1'
_cell_volume   69.57
_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  0.0  0.32  0.34  1.0
  Cd  Cd1  1  0.0  0.66  0.65  1.0
  Fe  Fe2  1  0.0  0.39  0.53  1.0
  Pt  Pt3  1  0.0  0.57  0.3  1.0

Cd Cd Fe Pt
Cd Cd Fe Pt 0 2 o o o 1 2 o o o 1 3 o o o 
FePtCd2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one FePtCd2 cluster. Fe(1) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one Cd(2) atom. The Fe(1)-Cd(1) bond length is 1.34 Å. The Fe(1)-Cd(2) bond length is 0.96 Å. Pt(1) is bonded in a 2-coordinate geometry to one Cd(1) and one Cd(2) atom. The Pt(1)-Cd(1) bond length is 1.74 Å. The Pt(1)-Cd(2) bond length is 1.33 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 2-coordinate geometry to one Fe(1) and one Pt(1) atom. In the second Cd site, Cd(2) is bonded in an L-shaped geometry to one Fe(1) and one Pt(1) atom.