# generated using pymatgen
data_AlFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49531600
_cell_length_b   5.49531600
_cell_length_c   52.75493269
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe3
_chemical_formula_sum   'Al16 Fe48'
_cell_volume   1593.11972558
_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  0.512040  0.012040  0.270367  1
  Al  Al2  1  0.012040  0.512040  0.270367  1
  Al  Al3  1  0.512040  0.512040  0.327620  1
  Al  Al4  1  0.012040  0.012040  0.327620  1
  Al  Al5  1  0.512040  0.012040  0.383018  1
  Al  Al6  1  0.012040  0.512040  0.383018  1
  Al  Al7  1  0.512040  0.512040  0.438495  1
  Al  Al8  1  0.012040  0.012040  0.438495  1
  Al  Al9  1  0.512040  0.012040  0.493967  1
  Al  Al10  1  0.012040  0.512040  0.493967  1
  Al  Al11  1  0.512040  0.512040  0.549440  1
  Al  Al12  1  0.012040  0.012040  0.549440  1
  Al  Al13  1  0.512040  0.012040  0.604961  1
  Al  Al14  1  0.012040  0.512040  0.604961  1
  Al  Al15  1  0.512040  0.512040  0.659779  1
  Al  Al16  1  0.012040  0.012040  0.659779  1
  Fe  Fe17  1  0.512040  0.512040  0.270958  1
  Fe  Fe18  1  0.762040  0.762040  0.299811  1
  Fe  Fe19  1  0.762040  0.762040  0.355300  1
  Fe  Fe20  1  0.012040  0.012040  0.270958  1
  Fe  Fe21  1  0.262040  0.262040  0.299811  1
  Fe  Fe22  1  0.262040  0.262040  0.355300  1
  Fe  Fe23  1  0.512040  0.012040  0.327526  1
  Fe  Fe24  1  0.762040  0.262040  0.355300  1
  Fe  Fe25  1  0.762040  0.262040  0.299811  1
  Fe  Fe26  1  0.012040  0.512040  0.327526  1
  Fe  Fe27  1  0.262040  0.762040  0.355300  1
  Fe  Fe28  1  0.262040  0.762040  0.299811  1
  Fe  Fe29  1  0.512040  0.512040  0.383025  1
  Fe  Fe30  1  0.762040  0.762040  0.410759  1
  Fe  Fe31  1  0.762040  0.762040  0.466231  1
  Fe  Fe32  1  0.012040  0.012040  0.383025  1
  Fe  Fe33  1  0.262040  0.262040  0.410759  1
  Fe  Fe34  1  0.262040  0.262040  0.466231  1
  Fe  Fe35  1  0.512040  0.012040  0.438495  1
  Fe  Fe36  1  0.762040  0.262040  0.466231  1
  Fe  Fe37  1  0.762040  0.262040  0.410759  1
  Fe  Fe38  1  0.012040  0.512040  0.438495  1
  Fe  Fe39  1  0.262040  0.762040  0.466231  1
  Fe  Fe40  1  0.262040  0.762040  0.410759  1
  Fe  Fe41  1  0.512040  0.512040  0.493967  1
  Fe  Fe42  1  0.762040  0.762040  0.521703  1
  Fe  Fe43  1  0.762040  0.762040  0.577178  1
  Fe  Fe44  1  0.012040  0.012040  0.493967  1
  Fe  Fe45  1  0.262040  0.262040  0.521703  1
  Fe  Fe46  1  0.262040  0.262040  0.577178  1
  Fe  Fe47  1  0.512040  0.012040  0.549438  1
  Fe  Fe48  1  0.762040  0.262040  0.577178  1
  Fe  Fe49  1  0.762040  0.262040  0.521703  1
  Fe  Fe50  1  0.012040  0.512040  0.549438  1
  Fe  Fe51  1  0.262040  0.762040  0.577178  1
  Fe  Fe52  1  0.262040  0.762040  0.521703  1
  Fe  Fe53  1  0.512040  0.512040  0.604888  1
  Fe  Fe54  1  0.762040  0.762040  0.632541  1
  Fe  Fe55  1  0.762040  0.762040  0.689135  1
  Fe  Fe56  1  0.012040  0.012040  0.604888  1
  Fe  Fe57  1  0.262040  0.262040  0.632541  1
  Fe  Fe58  1  0.262040  0.262040  0.689135  1
  Fe  Fe59  1  0.512040  0.012040  0.659977  1
  Fe  Fe60  1  0.762040  0.262040  0.689135  1
  Fe  Fe61  1  0.762040  0.262040  0.632541  1
  Fe  Fe62  1  0.012040  0.512040  0.659977  1
  Fe  Fe63  1  0.262040  0.762040  0.689135  1
  Fe  Fe64  1  0.262040  0.762040  0.632541  1
