# generated using pymatgen
data_Al3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28895742
_cell_length_b   9.18856851
_cell_length_c   48.17900855
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Fe
_chemical_formula_sum   'Al48 Fe16'
_cell_volume   1898.70481402
_cell_formula_units_Z   16
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  Al1  1  0.752609  0.599676  0.302699  1
  Al  Al2  1  0.752609  0.330538  0.278618  1
  Al  Al3  1  0.752609  0.081791  0.304065  1
  Al  Al4  1  0.252609  0.899843  0.301652  1
  Al  Al5  1  0.252609  0.173063  0.331881  1
  Al  Al6  1  0.252609  0.428182  0.305069  1
  Al  Al7  1  0.752609  0.090184  0.360211  1
  Al  Al8  1  0.752609  0.834577  0.333100  1
  Al  Al9  1  0.752609  0.584616  0.358020  1
  Al  Al10  1  0.252609  0.415819  0.359252  1
  Al  Al11  1  0.252609  0.672182  0.386974  1
  Al  Al12  1  0.252609  0.920862  0.359581  1
  Al  Al13  1  0.752609  0.590140  0.415477  1
  Al  Al14  1  0.752609  0.334945  0.387713  1
  Al  Al15  1  0.752609  0.088731  0.414741  1
  Al  Al16  1  0.252609  0.917128  0.414453  1
  Al  Al17  1  0.252609  0.171267  0.443112  1
  Al  Al18  1  0.252609  0.418382  0.415993  1
  Al  Al19  1  0.752609  0.089710  0.471667  1
  Al  Al20  1  0.752609  0.835646  0.443144  1
  Al  Al21  1  0.752609  0.589099  0.470191  1
  Al  Al22  1  0.252609  0.417028  0.470542  1
  Al  Al23  1  0.252609  0.671026  0.498733  1
  Al  Al24  1  0.252609  0.917553  0.471505  1
  Al  Al25  1  0.752609  0.589782  0.527202  1
  Al  Al26  1  0.752609  0.335784  0.499011  1
  Al  Al27  1  0.752609  0.089257  0.526239  1
  Al  Al28  1  0.252609  0.917099  0.526077  1
  Al  Al29  1  0.252609  0.171164  0.554600  1
  Al  Al30  1  0.252609  0.417711  0.527553  1
  Al  Al31  1  0.752609  0.089682  0.583291  1
  Al  Al32  1  0.752609  0.835543  0.554633  1
  Al  Al33  1  0.752609  0.588428  0.581752  1
  Al  Al34  1  0.252609  0.416669  0.582267  1
  Al  Al35  1  0.252609  0.671865  0.610032  1
  Al  Al36  1  0.252609  0.918079  0.583003  1
  Al  Al37  1  0.752609  0.590990  0.638492  1
  Al  Al38  1  0.752609  0.334628  0.610770  1
  Al  Al39  1  0.752609  0.085948  0.638164  1
  Al  Al40  1  0.252609  0.916625  0.637533  1
  Al  Al41  1  0.252609  0.172233  0.664644  1
  Al  Al42  1  0.252609  0.422194  0.639724  1
  Al  Al43  1  0.752609  0.106967  0.696092  1
  Al  Al44  1  0.752609  0.833747  0.665863  1
  Al  Al45  1  0.752609  0.578627  0.692676  1
  Al  Al46  1  0.252609  0.407134  0.695046  1
  Al  Al47  1  0.252609  0.676272  0.719126  1
  Al  Al48  1  0.252609  0.925019  0.693679  1
  Fe  Fe49  1  0.252609  0.172188  0.280560  1
  Fe  Fe50  1  0.752609  0.336082  0.332303  1
  Fe  Fe51  1  0.252609  0.669481  0.333111  1
  Fe  Fe52  1  0.752609  0.836690  0.387399  1
  Fe  Fe53  1  0.252609  0.169934  0.387611  1
  Fe  Fe54  1  0.752609  0.336977  0.443189  1
  Fe  Fe55  1  0.252609  0.670046  0.442998  1
  Fe  Fe56  1  0.752609  0.836837  0.498808  1
  Fe  Fe57  1  0.252609  0.169973  0.498936  1
  Fe  Fe58  1  0.752609  0.336764  0.554746  1
  Fe  Fe59  1  0.252609  0.669833  0.554555  1
  Fe  Fe60  1  0.752609  0.836875  0.610133  1
  Fe  Fe61  1  0.252609  0.170120  0.610345  1
  Fe  Fe62  1  0.752609  0.337329  0.664634  1
  Fe  Fe63  1  0.252609  0.670728  0.665441  1
  Fe  Fe64  1  0.752609  0.834621  0.717184  1
