# generated using pymatgen
data_AlFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52809557
_cell_length_b   8.03264592
_cell_length_c   52.14634210
_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   'Al24 Fe72'
_cell_volume   2315.57053988
_cell_formula_units_Z   24
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  0.009004  0.370397  0.322605  1
  Al  Al2  1  0.509004  0.120397  0.285487  1
  Al  Al3  1  0.509004  0.620397  0.285487  1
  Al  Al4  1  0.009004  0.870397  0.322605  1
  Al  Al5  1  0.009004  0.870397  0.399566  1
  Al  Al6  1  0.509004  0.620397  0.361850  1
  Al  Al7  1  0.509004  0.120397  0.361850  1
  Al  Al8  1  0.009004  0.370397  0.399566  1
  Al  Al9  1  0.009004  0.370397  0.476630  1
  Al  Al10  1  0.509004  0.120397  0.438548  1
  Al  Al11  1  0.509004  0.620397  0.438548  1
  Al  Al12  1  0.009004  0.870397  0.476630  1
  Al  Al13  1  0.009004  0.870397  0.553496  1
  Al  Al14  1  0.509004  0.620397  0.515415  1
  Al  Al15  1  0.509004  0.120397  0.515415  1
  Al  Al16  1  0.009004  0.370397  0.553496  1
  Al  Al17  1  0.009004  0.370397  0.630194  1
  Al  Al18  1  0.509004  0.120397  0.592479  1
  Al  Al19  1  0.509004  0.620397  0.592479  1
  Al  Al20  1  0.009004  0.870397  0.630194  1
  Al  Al21  1  0.009004  0.870397  0.706557  1
  Al  Al22  1  0.509004  0.620397  0.669439  1
  Al  Al23  1  0.509004  0.120397  0.669439  1
  Al  Al24  1  0.009004  0.370397  0.706557  1
  Fe  Fe25  1  0.509004  0.370397  0.322169  1
  Fe  Fe26  1  0.255083  0.370397  0.283374  1
  Fe  Fe27  1  0.259018  0.120397  0.323548  1
  Fe  Fe28  1  0.009004  0.120397  0.285475  1
  Fe  Fe29  1  0.758990  0.620397  0.323548  1
  Fe  Fe30  1  0.762925  0.870397  0.283374  1
  Fe  Fe31  1  0.009004  0.620397  0.285475  1
  Fe  Fe32  1  0.758990  0.120397  0.323548  1
  Fe  Fe33  1  0.762925  0.370397  0.283374  1
  Fe  Fe34  1  0.509004  0.870397  0.322169  1
  Fe  Fe35  1  0.255083  0.870397  0.283374  1
  Fe  Fe36  1  0.259018  0.620397  0.323548  1
  Fe  Fe37  1  0.509004  0.870397  0.399679  1
  Fe  Fe38  1  0.259737  0.870397  0.361089  1
  Fe  Fe39  1  0.258860  0.620397  0.400123  1
  Fe  Fe40  1  0.009004  0.620397  0.361797  1
  Fe  Fe41  1  0.759148  0.120397  0.400123  1
  Fe  Fe42  1  0.758271  0.370397  0.361089  1
  Fe  Fe43  1  0.009004  0.120397  0.361797  1
  Fe  Fe44  1  0.759148  0.620397  0.400123  1
  Fe  Fe45  1  0.758271  0.870397  0.361089  1
  Fe  Fe46  1  0.509004  0.370397  0.399679  1
  Fe  Fe47  1  0.259737  0.370397  0.361089  1
  Fe  Fe48  1  0.258860  0.120397  0.400123  1
  Fe  Fe49  1  0.509004  0.370397  0.476642  1
  Fe  Fe50  1  0.258880  0.370397  0.438167  1
  Fe  Fe51  1  0.258930  0.120397  0.476938  1
  Fe  Fe52  1  0.009004  0.120397  0.438520  1
  Fe  Fe53  1  0.759078  0.620397  0.476938  1
  Fe  Fe54  1  0.759128  0.870397  0.438167  1
  Fe  Fe55  1  0.009004  0.620397  0.438520  1
  Fe  Fe56  1  0.759078  0.120397  0.476938  1
  Fe  Fe57  1  0.759128  0.370397  0.438167  1
  Fe  Fe58  1  0.509004  0.870397  0.476642  1
  Fe  Fe59  1  0.258880  0.870397  0.438167  1
  Fe  Fe60  1  0.258930  0.620397  0.476938  1
  Fe  Fe61  1  0.509004  0.870397  0.553524  1
  Fe  Fe62  1  0.259078  0.870397  0.515106  1
  Fe  Fe63  1  0.259128  0.620397  0.553877  1
  Fe  Fe64  1  0.009004  0.620397  0.515403  1
  Fe  Fe65  1  0.758880  0.120397  0.553877  1
  Fe  Fe66  1  0.758930  0.370397  0.515106  1
  Fe  Fe67  1  0.009004  0.120397  0.515403  1
  Fe  Fe68  1  0.758880  0.620397  0.553877  1
  Fe  Fe69  1  0.758930  0.870397  0.515106  1
  Fe  Fe70  1  0.509004  0.370397  0.553524  1
  Fe  Fe71  1  0.259078  0.370397  0.515106  1
  Fe  Fe72  1  0.259128  0.120397  0.553877  1
  Fe  Fe73  1  0.509004  0.370397  0.630248  1
  Fe  Fe74  1  0.259148  0.370397  0.591922  1
  Fe  Fe75  1  0.258271  0.120397  0.630956  1
  Fe  Fe76  1  0.009004  0.120397  0.592365  1
  Fe  Fe77  1  0.759737  0.620397  0.630956  1
  Fe  Fe78  1  0.758860  0.870397  0.591922  1
  Fe  Fe79  1  0.009004  0.620397  0.592365  1
  Fe  Fe80  1  0.759737  0.120397  0.630956  1
  Fe  Fe81  1  0.758860  0.370397  0.591922  1
  Fe  Fe82  1  0.509004  0.870397  0.630248  1
  Fe  Fe83  1  0.259148  0.870397  0.591922  1
  Fe  Fe84  1  0.258271  0.620397  0.630956  1
  Fe  Fe85  1  0.509004  0.870397  0.706569  1
  Fe  Fe86  1  0.258990  0.870397  0.668497  1
  Fe  Fe87  1  0.262925  0.620397  0.708671  1
  Fe  Fe88  1  0.009004  0.620397  0.669876  1
  Fe  Fe89  1  0.755083  0.120397  0.708671  1
  Fe  Fe90  1  0.759018  0.370397  0.668497  1
  Fe  Fe91  1  0.009004  0.120397  0.669876  1
  Fe  Fe92  1  0.755083  0.620397  0.708671  1
  Fe  Fe93  1  0.759018  0.870397  0.668497  1
  Fe  Fe94  1  0.509004  0.370397  0.706569  1
  Fe  Fe95  1  0.258990  0.370397  0.668497  1
  Fe  Fe96  1  0.262925  0.120397  0.708671  1
