# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31880883
_cell_length_b   8.84557789
_cell_length_c   53.23677267
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al6Fe
_chemical_formula_sum   'Al72 Fe12'
_cell_volume   2975.59039084
_cell_formula_units_Z   12
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  0.501979  0.001537  0.327020  1
  Al  Al2  1  0.153628  0.600141  0.303153  1
  Al  Al3  1  0.501979  0.501537  0.327020  1
  Al  Al4  1  0.850330  0.402933  0.303153  1
  Al  Al5  1  0.694841  0.251537  0.345897  1
  Al  Al6  1  0.501979  0.501537  0.418145  1
  Al  Al7  1  0.153628  0.902933  0.303153  1
  Al  Al8  1  0.818770  0.751537  0.328040  1
  Al  Al9  1  0.808562  0.751537  0.417322  1
  Al  Al10  1  0.185187  0.251537  0.328040  1
  Al  Al11  1  0.850330  0.100141  0.303153  1
  Al  Al12  1  0.501979  0.001537  0.418145  1
  Al  Al13  1  1.001979  0.001537  0.398666  1
  Al  Al14  1  0.649616  0.600338  0.372158  1
  Al  Al15  1  1.001979  0.501537  0.398666  1
  Al  Al16  1  0.354341  0.402737  0.372158  1
  Al  Al17  1  0.195395  0.251537  0.417322  1
  Al  Al18  1  1.001979  0.501537  0.347204  1
  Al  Al19  1  0.649616  0.902737  0.372158  1
  Al  Al20  1  0.310093  0.751537  0.399460  1
  Al  Al21  1  0.309117  0.751537  0.345897  1
  Al  Al22  1  0.693864  0.251537  0.399460  1
  Al  Al23  1  0.354341  0.100338  0.372158  1
  Al  Al24  1  1.001979  0.001537  0.347204  1
  Al  Al25  1  0.501979  0.001537  0.470185  1
  Al  Al26  1  0.149656  0.600120  0.444324  1
  Al  Al27  1  0.501979  0.501537  0.470185  1
  Al  Al28  1  0.854301  0.402955  0.444324  1
  Al  Al29  1  0.694790  0.251537  0.489108  1
  Al  Al30  1  0.501979  0.501537  0.561776  1
  Al  Al31  1  0.149656  0.902955  0.444324  1
  Al  Al32  1  0.809104  0.751537  0.471221  1
  Al  Al33  1  0.809039  0.751537  0.560840  1
  Al  Al34  1  0.194853  0.251537  0.471221  1
  Al  Al35  1  0.854301  0.100120  0.444324  1
  Al  Al36  1  0.501979  0.001537  0.561776  1
  Al  Al37  1  1.001979  0.001537  0.542053  1
  Al  Al38  1  0.649499  0.600127  0.516014  1
  Al  Al39  1  1.001979  0.501537  0.542053  1
  Al  Al40  1  0.354459  0.402948  0.516014  1
  Al  Al41  1  0.194918  0.251537  0.560840  1
  Al  Al42  1  1.001979  0.501537  0.490111  1
  Al  Al43  1  0.649499  0.902948  0.516014  1
  Al  Al44  1  0.308789  0.751537  0.543025  1
  Al  Al45  1  0.309168  0.751537  0.489108  1
  Al  Al46  1  0.695169  0.251537  0.543025  1
  Al  Al47  1  0.354459  0.100127  0.516014  1
  Al  Al48  1  1.001979  0.001537  0.490111  1
  Al  Al49  1  0.501979  0.001537  0.613532  1
  Al  Al50  1  0.149242  0.600043  0.587940  1
  Al  Al51  1  0.501979  0.501537  0.613532  1
  Al  Al52  1  0.854716  0.403032  0.587940  1
  Al  Al53  1  0.694857  0.251537  0.632580  1
  Al  Al54  1  0.501979  0.501537  0.703719  1
  Al  Al55  1  0.149242  0.903032  0.587940  1
  Al  Al56  1  0.809716  0.751537  0.614689  1
  Al  Al57  1  0.765741  0.751537  0.700747  1
  Al  Al58  1  0.194241  0.251537  0.614689  1
  Al  Al59  1  0.854716  0.100043  0.587940  1
  Al  Al60  1  0.501979  0.001537  0.703719  1
  Al  Al61  1  1.001979  0.001537  0.686264  1
  Al  Al62  1  0.650592  0.598597  0.658788  1
  Al  Al63  1  1.001979  0.501537  0.686264  1
  Al  Al64  1  0.353366  0.404478  0.658788  1
  Al  Al65  1  0.238217  0.251537  0.700747  1
  Al  Al66  1  1.001979  0.501537  0.634106  1
  Al  Al67  1  0.650592  0.904478  0.658788  1
  Al  Al68  1  0.318678  0.751537  0.684514  1
  Al  Al69  1  0.309100  0.751537  0.632580  1
  Al  Al70  1  0.685279  0.251537  0.684514  1
  Al  Al71  1  0.353366  0.098597  0.658788  1
  Al  Al72  1  1.001979  0.001537  0.634106  1
  Fe  Fe73  1  0.493923  0.751537  0.302294  1
  Fe  Fe74  1  0.510035  0.251537  0.302294  1
  Fe  Fe75  1  0.984278  0.751537  0.372850  1
  Fe  Fe76  1  0.019680  0.251537  0.372850  1
  Fe  Fe77  1  0.483894  0.751537  0.444265  1
  Fe  Fe78  1  0.520064  0.251537  0.444265  1
  Fe  Fe79  1  0.983862  0.751537  0.516049  1
  Fe  Fe80  1  0.020096  0.251537  0.516049  1
  Fe  Fe81  1  0.483733  0.751537  0.587770  1
  Fe  Fe82  1  0.520225  0.251537  0.587770  1
  Fe  Fe83  1  0.983735  0.751537  0.659488  1
  Fe  Fe84  1  0.020223  0.251537  0.659488  1
