# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36841116
_cell_length_b   6.36093961
_cell_length_c   46.58311201
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al36 Fe36'
_cell_volume   1848.91302779
_cell_formula_units_Z   36
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  0.553705  0.555580  0.286848  1
  Al  Al2  1  0.053705  0.055580  0.286848  1
  Al  Al3  1  0.954051  0.456011  0.311385  1
  Al  Al4  1  0.454051  0.956011  0.311385  1
  Al  Al5  1  0.377725  0.379378  0.337811  1
  Al  Al6  1  0.877725  0.879378  0.337811  1
  Al  Al7  1  0.791706  0.293340  0.361853  1
  Al  Al8  1  0.291706  0.793340  0.361853  1
  Al  Al9  1  0.209906  0.211318  0.387294  1
  Al  Al10  1  0.709906  0.711318  0.387294  1
  Al  Al11  1  0.625377  0.126703  0.412066  1
  Al  Al12  1  0.125377  0.626703  0.412066  1
  Al  Al13  1  0.042696  0.043850  0.437303  1
  Al  Al14  1  0.542696  0.543850  0.437303  1
  Al  Al15  1  0.458685  0.959723  0.462188  1
  Al  Al16  1  0.958685  0.459723  0.462188  1
  Al  Al17  1  0.875581  0.876463  0.487298  1
  Al  Al18  1  0.375581  0.376463  0.487298  1
  Al  Al19  1  0.291777  0.792537  0.512252  1
  Al  Al20  1  0.791777  0.292537  0.512252  1
  Al  Al21  1  0.708673  0.709277  0.537361  1
  Al  Al22  1  0.208673  0.209277  0.537361  1
  Al  Al23  1  0.124662  0.625151  0.562247  1
  Al  Al24  1  0.624662  0.125151  0.562247  1
  Al  Al25  1  0.541981  0.542297  0.587484  1
  Al  Al26  1  0.041981  0.042297  0.587484  1
  Al  Al27  1  0.957452  0.457683  0.612256  1
  Al  Al28  1  0.457452  0.957683  0.612256  1
  Al  Al29  1  0.375652  0.375660  0.637697  1
  Al  Al30  1  0.875652  0.875660  0.637697  1
  Al  Al31  1  0.789633  0.289622  0.661739  1
  Al  Al32  1  0.289633  0.789622  0.661739  1
  Al  Al33  1  0.213307  0.212989  0.688165  1
  Al  Al34  1  0.713307  0.712989  0.688165  1
  Al  Al35  1  0.613653  0.113420  0.712702  1
  Al  Al36  1  0.113653  0.613420  0.712702  1
  Fe  Fe37  1  0.804962  0.807129  0.288178  1
  Fe  Fe38  1  0.304962  0.307129  0.288178  1
  Fe  Fe39  1  0.203864  0.705643  0.311873  1
  Fe  Fe40  1  0.703864  0.205643  0.311873  1
  Fe  Fe41  1  0.627355  0.629164  0.337556  1
  Fe  Fe42  1  0.127355  0.129164  0.337556  1
  Fe  Fe43  1  0.041202  0.542731  0.361884  1
  Fe  Fe44  1  0.541202  0.042731  0.361884  1
  Fe  Fe45  1  0.460108  0.461590  0.387409  1
  Fe  Fe46  1  0.960108  0.961590  0.387409  1
  Fe  Fe47  1  0.875353  0.376635  0.412076  1
  Fe  Fe48  1  0.375353  0.876635  0.412076  1
  Fe  Fe49  1  0.292667  0.293850  0.437271  1
  Fe  Fe50  1  0.792667  0.793850  0.437271  1
  Fe  Fe51  1  0.708662  0.209679  0.462184  1
  Fe  Fe52  1  0.208662  0.709679  0.462184  1
  Fe  Fe53  1  0.125598  0.126498  0.487311  1
  Fe  Fe54  1  0.625598  0.626498  0.487311  1
  Fe  Fe55  1  0.541760  0.042503  0.512239  1
  Fe  Fe56  1  0.041760  0.542503  0.512239  1
  Fe  Fe57  1  0.958696  0.959321  0.537366  1
  Fe  Fe58  1  0.458696  0.459321  0.537366  1
  Fe  Fe59  1  0.374691  0.875150  0.562279  1
  Fe  Fe60  1  0.874691  0.375150  0.562279  1
  Fe  Fe61  1  0.792005  0.792365  0.587474  1
  Fe  Fe62  1  0.292005  0.292365  0.587474  1
  Fe  Fe63  1  0.207250  0.707410  0.612140  1
  Fe  Fe64  1  0.707250  0.207410  0.612140  1
  Fe  Fe65  1  0.626156  0.626269  0.637666  1
  Fe  Fe66  1  0.126156  0.126269  0.637666  1
  Fe  Fe67  1  0.040003  0.539836  0.661993  1
  Fe  Fe68  1  0.540003  0.039836  0.661993  1
  Fe  Fe69  1  0.463494  0.463357  0.687677  1
  Fe  Fe70  1  0.963494  0.963357  0.687677  1
  Fe  Fe71  1  0.862396  0.361871  0.711372  1
  Fe  Fe72  1  0.362396  0.861871  0.711372  1
