# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98436689
_cell_length_b   10.16079778
_cell_length_c   54.99910751
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al39 Fe39'
_cell_volume   2226.60291491
_cell_formula_units_Z   39
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  0.648120  0.661695  0.207030  1
  Al  Al2  1  0.648120  0.438798  0.184610  1
  Al  Al3  1  0.648120  0.077870  0.195155  1
  Al  Al4  1  0.648120  0.502360  0.242797  1
  Al  Al5  1  0.648120  0.286157  0.220504  1
  Al  Al6  1  0.648120  0.894018  0.227775  1
  Al  Al7  1  0.648120  0.322003  0.276211  1
  Al  Al8  1  0.648120  0.108421  0.252481  1
  Al  Al9  1  0.648120  0.728811  0.262847  1
  Al  Al10  1  0.648120  0.151656  0.310951  1
  Al  Al11  1  0.648120  0.944003  0.286178  1
  Al  Al12  1  0.648120  0.549178  0.295492  1
  Al  Al13  1  0.648120  0.960688  0.344123  1
  Al  Al14  1  0.648120  0.764687  0.317238  1
  Al  Al15  1  0.648120  0.386862  0.330404  1
  Al  Al16  1  0.648120  0.992376  0.392756  1
  Al  Al17  1  0.648120  0.616553  0.353280  1
  Al  Al18  1  0.648120  0.199298  0.362438  1
  Al  Al19  1  0.648120  0.532104  0.430920  1
  Al  Al20  1  0.648120  0.426829  0.384580  1
  Al  Al21  1  0.648120  0.093270  0.439479  1
  Al  Al22  1  0.648120  0.558682  0.479863  1
  Al  Al23  1  0.648120  0.323089  0.461025  1
  Al  Al24  1  0.648120  0.903805  0.470963  1
  Al  Al25  1  0.648120  0.369795  0.513095  1
  Al  Al26  1  0.648120  0.136730  0.493118  1
  Al  Al27  1  0.648120  0.753358  0.506896  1
  Al  Al28  1  0.648120  0.196655  0.547342  1
  Al  Al29  1  0.648120  0.972777  0.527533  1
  Al  Al30  1  0.648120  0.575455  0.538681  1
  Al  Al31  1  0.648120  1.024772  0.581273  1
  Al  Al32  1  0.648120  0.798217  0.560258  1
  Al  Al33  1  0.648120  0.403329  0.571877  1
  Al  Al34  1  0.648120  0.847056  0.614118  1
  Al  Al35  1  0.648120  0.623555  0.593373  1
  Al  Al36  1  0.648120  0.236972  0.606410  1
  Al  Al37  1  0.648120  0.691865  0.649987  1
  Al  Al38  1  0.648120  0.464049  0.628906  1
  Al  Al39  1  0.648120  1.055828  0.639287  1
  Fe  Fe40  1  1.148120  0.706852  0.235583  1
  Fe  Fe41  1  1.148120  0.477149  0.215177  1
  Fe  Fe42  1  1.148120  0.099646  0.225310  1
  Fe  Fe43  1  1.148120  0.538883  0.268649  1
  Fe  Fe44  1  1.148120  0.313062  0.249023  1
  Fe  Fe45  1  1.148120  0.925598  0.257947  1
  Fe  Fe46  1  1.148120  0.369481  0.301989  1
  Fe  Fe47  1  1.148120  0.139429  0.281389  1
  Fe  Fe48  1  1.148120  0.755304  0.290362  1
  Fe  Fe49  1  1.148120  0.205716  0.334677  1
  Fe  Fe50  1  1.148120  0.969391  0.314456  1
  Fe  Fe51  1  1.148120  0.584296  0.323576  1
  Fe  Fe52  1  1.148120  1.035673  0.365898  1
  Fe  Fe53  1  1.148120  0.793284  0.346366  1
  Fe  Fe54  1  1.148120  0.419789  0.356169  1
  Fe  Fe55  1  1.148120  0.841801  0.394587  1
  Fe  Fe56  1  1.148120  0.618382  0.379940  1
  Fe  Fe57  1  1.148120  0.251078  0.387499  1
  Fe  Fe58  1  1.148120  0.681133  0.428946  1
  Fe  Fe59  1  1.148120  0.452769  0.410227  1
  Fe  Fe60  1  1.148120  1.067391  0.413853  1
  Fe  Fe61  1  1.148120  0.486813  0.457660  1
  Fe  Fe62  1  1.148120  0.269094  0.436351  1
  Fe  Fe63  1  1.148120  0.902446  0.444317  1
  Fe  Fe64  1  1.148120  0.317996  0.488981  1
  Fe  Fe65  1  1.148120  0.101790  0.467761  1
  Fe  Fe66  1  1.148120  0.726343  0.477656  1
  Fe  Fe67  1  1.148120  0.153443  0.521485  1
  Fe  Fe68  1  1.148120  0.936294  0.500158  1
  Fe  Fe69  1  1.148120  0.551298  0.509853  1
  Fe  Fe70  1  1.148120  0.987063  0.554786  1
  Fe  Fe71  1  1.148120  0.765651  0.533452  1
  Fe  Fe72  1  1.148120  0.379224  0.542659  1
  Fe  Fe73  1  1.148120  0.814061  0.586720  1
  Fe  Fe74  1  1.148120  0.592700  0.566171  1
  Fe  Fe75  1  1.148120  0.209246  0.575875  1
  Fe  Fe76  1  1.148120  0.650631  0.620363  1
  Fe  Fe77  1  1.148120  0.425078  0.599431  1
  Fe  Fe78  1  1.148120  1.034238  0.608797  1
