data_AlFe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2Pt
_chemical_formula_sum   'Al1 Fe2 Pt1'
_cell_volume   51.88
_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  0.0  0.44  1.0
  Fe  Fe1  1  0.99  0.0  0.26  1.0
  Fe  Fe2  1  0.0  0.0  0.94  1.0
  Pt  Pt3  1  0.99  0.0  0.12  1.0

data_AlFe2Pt
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   AlFe2Pt
_chemical_formula_sum   'Al1 Fe2 Pt1'
_cell_volume   51.91
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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  0.0  0.44  1.0
  Fe  Fe1  1  0.0  0.0  0.26  1.0
  Fe  Fe2  1  0.0  0.0  0.94  1.0
  Pt  Pt3  1  0.0  0.0  0.12  1.0

Al Fe Fe Pt
Al Fe Fe Pt 0 1 - o o 1 3 o o o 2 3 - o + 
Fe2PtAl crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one Fe2PtAl cluster. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a linear geometry to one Pt(1) and one Al(1) atom. The Fe(1)-Pt(1) bond length is 0.89 Å. The Fe(1)-Al(1) bond length is 1.14 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Pt(1) atom. The Fe(2)-Pt(1) bond length is 1.19 Å. Pt(1) is bonded in a linear geometry to one Fe(1) and one Fe(2) atom. Al(1) is bonded in a single-bond geometry to one Fe(1) atom.