data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.14
_cell_angle_alpha   109.39
_cell_angle_beta   109.39
_cell_angle_gamma   34.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al2 Fe2'
_cell_volume   48.88
_cell_formula_units_Z   2
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  0.11  0.0  0.57  1.0
  Al  Al1  1  0.52  0.0  0.31  1.0
  Fe  Fe2  1  0.53  0.0  0.33  1.0
  Fe  Fe3  1  0.09  0.0  0.55  1.0

data_AlFe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.78
_cell_length_b   4.14
_cell_length_c   4.74
_cell_angle_alpha   109.39
_cell_angle_beta   107.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al2 Fe2'
_cell_volume   48.88
_cell_formula_units_Z   2
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
  Al  Al0  2  0.0  0.13  0.8  1.0
  Fe  Fe1  2  0.0  0.11  0.78  1.0

Al Al Fe Fe
FeAl is alpha carbon monoxide-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two dtxsid6065212 molecules. Fe(1) is bonded in a single-bond geometry to one Al(1) atom. The Fe(1)-Al(1) bond length is 0.10 Å. Al(1) is bonded in a single-bond geometry to one Fe(1) atom.