[CIF]
data_Al12Fe17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84490143
_cell_length_b   7.84490143
_cell_length_c   7.84490143
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al12Fe17
_chemical_formula_sum   'Al12 Fe17'
_cell_volume   371.65551518
_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  3.65523017  -1.87838141  3.65523017  1
  Al  Al1  1  0.87402578  2.65087454  0.87402578  1
  Al  Al2  1  -0.87402578  6.40763736  0.87402578  1
  Al  Al3  1  0.87402578  6.40763736  -0.87402578  1
  Al  Al4  1  -0.87402578  0.87402578  6.40763736  1
  Al  Al5  1  0.87402578  -0.87402578  6.40763736  1
  Al  Al6  1  0.87402578  0.87402578  2.65087454  1
  Al  Al7  1  3.65523017  3.65523017  -1.87838141  1
  Al  Al8  1  6.40763736  0.87402578  -0.87402578  1
  Al  Al9  1  6.40763736  -0.87402578  0.87402578  1
  Al  Al10  1  -1.87838141  3.65523017  3.65523017  1
  Al  Al11  1  2.65087454  0.87402578  0.87402578  1
  Fe  Fe12  1  1.21977569  4.97784963  1.21977569  1
  Fe  Fe13  1  3.30948026  0.44859368  3.30948026  1
  Fe  Fe14  1  1.21977569  4.08066227  -1.21977569  1
  Fe  Fe15  1  -1.21977569  4.08066227  1.21977569  1
  Fe  Fe16  1  1.21977569  -1.21977569  4.08066227  1
  Fe  Fe17  1  -1.21977569  1.21977569  4.08066227  1
  Fe  Fe18  1  3.30948026  3.30948026  0.44859368  1
  Fe  Fe19  1  1.21977569  1.21977569  4.97784963  1
  Fe  Fe20  1  4.08066227  -1.21977569  1.21977569  1
  Fe  Fe21  1  4.08066227  1.21977569  -1.21977569  1
  Fe  Fe22  1  4.97784963  1.21977569  1.21977569  1
  Fe  Fe23  1  0.44859368  3.30948026  3.30948026  1
  Fe  Fe24  1  1.65765310  -1.65765310  1.65765310  1
  Fe  Fe25  1  2.87160285  2.87160285  2.87160285  1
  Fe  Fe26  1  1.65765310  1.65765310  -1.65765310  1
  Fe  Fe27  1  -1.65765310  1.65765310  1.65765310  1
  Fe  Fe28  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
