data_Al2FePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   4.95
_cell_angle_alpha   100.15
_cell_angle_beta   100.15
_cell_angle_gamma   37.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2FePt
_chemical_formula_sum   'Al2 Fe1 Pt1'
_cell_volume   56.37
_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
  Al  Al0  1  0.01  0.0  0.17  1.0
  Al  Al1  1  0.39  0.0  0.7  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.7  0.0  0.43  1.0

data_Al2FePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.38
_cell_length_c   4.95
_cell_angle_alpha   100.15
_cell_angle_beta   90.0
_cell_angle_gamma   108.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2FePt
_chemical_formula_sum   'Al2 Fe1 Pt1'
_cell_volume   56.37
_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
  Al  Al0  1  0.0  0.61  0.3  1.0
  Al  Al1  1  0.0  0.99  0.83  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.3  0.57  1.0

Al Al Fe Pt
FePtAl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one FePtAl2 cluster. Fe(1) is bonded in a single-bond geometry to one Al(1) atom. The Fe(1)-Al(1) bond length is 0.83 Å. Pt(1) is bonded in a linear geometry to one Al(1) and one Al(2) atom. The Pt(1)-Al(1) bond length is 2.05 Å. The Pt(1)-Al(2) bond length is 2.05 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 2-coordinate geometry to one Fe(1) and one Pt(1) atom. In the second Al site, Al(2) is bonded in a 1-coordinate geometry to one Pt(1) atom.