# generated using pymatgen
data_Al3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33455630
_cell_length_b   4.29088949
_cell_length_c   50.83803832
_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   'Al30 Fe10'
_cell_volume   1163.68226607
_cell_formula_units_Z   10
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  0.743914  0.252383  0.347884  1
  Al  Al2  1  0.257322  0.252383  0.347884  1
  Al  Al3  1  0.500618  0.252383  0.302983  1
  Al  Al4  1  0.752853  0.752383  0.289279  1
  Al  Al5  1  0.248383  0.752383  0.289279  1
  Al  Al6  1  1.000618  0.752383  0.333323  1
  Al  Al7  1  0.245935  0.252383  0.439342  1
  Al  Al8  1  0.755301  0.252383  0.439342  1
  Al  Al9  1  1.000618  0.252383  0.394453  1
  Al  Al10  1  0.255291  0.752383  0.379268  1
  Al  Al11  1  0.745945  0.752383  0.379268  1
  Al  Al12  1  0.500618  0.752383  0.423931  1
  Al  Al13  1  0.746093  0.252383  0.530564  1
  Al  Al14  1  0.255142  0.252383  0.530564  1
  Al  Al15  1  0.500618  0.252383  0.485818  1
  Al  Al16  1  0.755142  0.752383  0.470286  1
  Al  Al17  1  0.246093  0.752383  0.470286  1
  Al  Al18  1  1.000618  0.752383  0.515032  1
  Al  Al19  1  0.245945  0.252383  0.621582  1
  Al  Al20  1  0.755291  0.252383  0.621582  1
  Al  Al21  1  1.000618  0.252383  0.576919  1
  Al  Al22  1  0.255301  0.752383  0.561508  1
  Al  Al23  1  0.745935  0.752383  0.561508  1
  Al  Al24  1  0.500618  0.752383  0.606397  1
  Al  Al25  1  0.748383  0.252383  0.711571  1
  Al  Al26  1  0.252853  0.252383  0.711571  1
  Al  Al27  1  0.500618  0.252383  0.667527  1
  Al  Al28  1  0.757322  0.752383  0.652966  1
  Al  Al29  1  0.243914  0.752383  0.652966  1
  Al  Al30  1  1.000618  0.752383  0.697868  1
  Fe  Fe31  1  0.500618  0.752383  0.333954  1
  Fe  Fe32  1  1.000618  0.252383  0.304874  1
  Fe  Fe33  1  1.000618  0.752383  0.424445  1
  Fe  Fe34  1  0.500618  0.252383  0.394053  1
  Fe  Fe35  1  0.500618  0.752383  0.515623  1
  Fe  Fe36  1  1.000618  0.252383  0.485227  1
  Fe  Fe37  1  1.000618  0.752383  0.606797  1
  Fe  Fe38  1  0.500618  0.252383  0.576405  1
  Fe  Fe39  1  0.500618  0.752383  0.695976  1
  Fe  Fe40  1  1.000618  0.252383  0.666897  1
