# generated using pymatgen
data_Al3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29682502
_cell_length_b   14.05445140
_cell_length_c   47.24407233
_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   'Al72 Fe24'
_cell_volume   2853.0467786
_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  0.751689  0.219180  0.357973  1
  Al  Al2  1  0.751689  0.932813  0.285369  1
  Al  Al3  1  0.751689  0.573936  0.321623  1
  Al  Al4  1  0.751689  0.395262  0.339765  1
  Al  Al5  1  0.751689  0.036865  0.375787  1
  Al  Al6  1  0.751689  0.744182  0.299803  1
  Al  Al7  1  0.751689  0.434290  0.282897  1
  Al  Al8  1  0.751689  0.075572  0.319687  1
  Al  Al9  1  0.751689  0.718955  0.355804  1
  Al  Al10  1  0.251689  0.361481  0.307416  1
  Al  Al11  1  0.251689  0.998664  0.344763  1
  Al  Al12  1  0.251689  0.644186  0.381804  1
  Al  Al13  1  0.251689  0.184771  0.325439  1
  Al  Al14  1  0.251689  0.826217  0.363356  1
  Al  Al15  1  0.251689  0.557381  0.288494  1
  Al  Al16  1  0.251689  0.145912  0.381987  1
  Al  Al17  1  0.251689  0.853391  0.308429  1
  Al  Al18  1  0.251689  0.502599  0.344993  1
  Al  Al19  1  0.751689  0.146490  0.468618  1
  Al  Al20  1  0.751689  0.861595  0.394545  1
  Al  Al21  1  0.751689  0.504494  0.431636  1
  Al  Al22  1  0.751689  0.322166  0.450447  1
  Al  Al23  1  0.751689  0.965238  0.487680  1
  Al  Al24  1  0.751689  0.680193  0.413091  1
  Al  Al25  1  0.751689  0.359708  0.393983  1
  Al  Al26  1  0.751689  1.001958  0.430683  1
  Al  Al27  1  0.751689  0.645216  0.467837  1
  Al  Al28  1  0.251689  0.286748  0.418792  1
  Al  Al29  1  0.251689  0.930634  0.456219  1
  Al  Al30  1  0.251689  0.572970  0.493157  1
  Al  Al31  1  0.251689  0.111874  0.437058  1
  Al  Al32  1  0.251689  0.754940  0.474540  1
  Al  Al33  1  0.251689  0.469006  0.399939  1
  Al  Al34  1  0.251689  0.075511  0.494100  1
  Al  Al35  1  0.251689  0.789667  0.419941  1
  Al  Al36  1  0.251689  0.432072  0.456786  1
  Al  Al37  1  0.751689  0.075866  0.580362  1
  Al  Al38  1  0.751689  0.789644  0.505997  1
  Al  Al39  1  0.751689  0.431980  0.542936  1
  Al  Al40  1  0.751689  0.250740  0.562096  1
  Al  Al41  1  0.751689  0.893608  0.599215  1
  Al  Al42  1  0.751689  0.607674  0.524615  1
  Al  Al43  1  0.751689  0.287104  0.505055  1
  Al  Al44  1  0.751689  0.930543  0.542369  1
  Al  Al45  1  0.751689  0.572948  0.579214  1
  Al  Al46  1  0.251689  0.216124  0.530536  1
  Al  Al47  1  0.251689  0.858120  0.567518  1
  Al  Al48  1  0.251689  0.501019  0.604609  1
  Al  Al49  1  0.251689  0.040448  0.548707  1
  Al  Al50  1  0.251689  0.682422  0.586063  1
  Al  Al51  1  0.251689  0.397376  0.511474  1
  Al  Al52  1  0.251689  0.002906  0.605171  1
  Al  Al53  1  0.251689  0.717398  0.531318  1
  Al  Al54  1  0.251689  0.360656  0.568472  1
  Al  Al55  1  0.751689  1.001133  0.691739  1
  Al  Al56  1  0.751689  0.718428  0.617350  1
  Al  Al57  1  0.751689  0.363951  0.654391  1
  Al  Al58  1  0.751689  0.177843  0.673716  1
  Al  Al59  1  0.751689  0.805233  0.710661  1
  Al  Al60  1  0.751689  0.536398  0.635798  1
  Al  Al61  1  0.751689  0.216702  0.617168  1
  Al  Al62  1  0.751689  0.860015  0.654162  1
  Al  Al63  1  0.751689  0.509223  0.690725  1
  Al  Al64  1  0.251689  0.143434  0.641181  1
  Al  Al65  1  0.251689  0.788678  0.677532  1
  Al  Al66  1  0.251689  0.429802  0.713786  1
  Al  Al67  1  0.251689  0.967352  0.659390  1
  Al  Al68  1  0.251689  0.618433  0.699351  1
  Al  Al69  1  0.251689  0.325749  0.623367  1
  Al  Al70  1  0.251689  0.928325  0.716258  1
  Al  Al71  1  0.251689  0.643659  0.643350  1
  Al  Al72  1  0.251689  0.287042  0.679467  1
  Fe  Fe73  1  0.251689  0.324619  0.363510  1
  Fe  Fe74  1  0.251689  0.033537  0.293008  1
  Fe  Fe75  1  0.251689  0.681298  0.328113  1
  Fe  Fe76  1  0.751689  0.257303  0.304773  1
  Fe  Fe77  1  0.751689  0.894977  0.339099  1
  Fe  Fe78  1  0.751689  0.539185  0.376024  1
  Fe  Fe79  1  0.251689  0.252697  0.474760  1
  Fe  Fe80  1  0.251689  0.967412  0.400560  1
  Fe  Fe81  1  0.251689  0.610276  0.437638  1
  Fe  Fe82  1  0.751689  0.181036  0.412816  1
  Fe  Fe83  1  0.751689  0.824459  0.450120  1
  Fe  Fe84  1  0.751689  0.466880  0.487104  1
  Fe  Fe85  1  0.251689  0.181578  0.586338  1
  Fe  Fe86  1  0.251689  0.895734  0.512051  1
  Fe  Fe87  1  0.251689  0.538155  0.549035  1
  Fe  Fe88  1  0.751689  0.109917  0.524395  1
  Fe  Fe89  1  0.751689  0.752338  0.561517  1
  Fe  Fe90  1  0.751689  0.395202  0.598595  1
  Fe  Fe91  1  0.251689  0.105311  0.694381  1
  Fe  Fe92  1  0.251689  0.823429  0.623131  1
  Fe  Fe93  1  0.251689  0.467637  0.660056  1
  Fe  Fe94  1  0.751689  0.037995  0.635645  1
  Fe  Fe95  1  0.751689  0.681316  0.671041  1
  Fe  Fe96  1  0.751689  0.329077  0.706146  1
