# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50685791
_cell_length_b   9.25526590
_cell_length_c   51.12449374
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al40 Fe80'
_cell_volume   3078.85505893
_cell_formula_units_Z   40
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  0.256499  0.667455  0.290686  1
  Al  Al2  1  1.000866  0.417455  0.290686  1
  Al  Al3  1  0.750287  0.917455  0.331632  1
  Al  Al4  1  0.507078  0.667455  0.331632  1
  Al  Al5  1  0.750287  0.417455  0.331632  1
  Al  Al6  1  0.507078  0.167455  0.331632  1
  Al  Al7  1  0.256499  0.167455  0.290686  1
  Al  Al8  1  1.000866  0.917455  0.290686  1
  Al  Al9  1  0.254632  0.167455  0.377350  1
  Al  Al10  1  1.002733  0.917455  0.377350  1
  Al  Al11  1  0.753489  0.417455  0.422706  1
  Al  Al12  1  0.503876  0.167455  0.422706  1
  Al  Al13  1  0.753489  0.917455  0.422706  1
  Al  Al14  1  0.503876  0.667455  0.422706  1
  Al  Al15  1  0.254632  0.667455  0.377350  1
  Al  Al16  1  1.002733  0.417455  0.377350  1
  Al  Al17  1  0.253605  0.667455  0.468163  1
  Al  Al18  1  0.003760  0.417455  0.468163  1
  Al  Al19  1  0.753594  0.917455  0.513644  1
  Al  Al20  1  0.503771  0.667455  0.513644  1
  Al  Al21  1  0.753594  0.417455  0.513644  1
  Al  Al22  1  0.503771  0.167455  0.513644  1
  Al  Al23  1  0.253605  0.167455  0.468163  1
  Al  Al24  1  0.003760  0.917455  0.468163  1
  Al  Al25  1  0.253586  0.167455  0.559122  1
  Al  Al26  1  0.003779  0.917455  0.559122  1
  Al  Al27  1  0.754050  0.417455  0.604638  1
  Al  Al28  1  0.503315  0.167455  0.604638  1
  Al  Al29  1  0.754050  0.917455  0.604638  1
  Al  Al30  1  0.503315  0.667455  0.604638  1
  Al  Al31  1  0.253586  0.667455  0.559122  1
  Al  Al32  1  0.003779  0.417455  0.559122  1
  Al  Al33  1  0.249431  0.667455  0.649822  1
  Al  Al34  1  0.007934  0.417455  0.649822  1
  Al  Al35  1  0.771824  0.917455  0.691108  1
  Al  Al36  1  0.485541  0.667455  0.691108  1
  Al  Al37  1  0.771824  0.417455  0.691108  1
  Al  Al38  1  0.485541  0.167455  0.691108  1
  Al  Al39  1  0.249431  0.167455  0.649822  1
  Al  Al40  1  0.007934  0.917455  0.649822  1
  Fe  Fe41  1  0.385190  0.417455  0.353874  1
  Fe  Fe42  1  0.628683  0.792455  0.284921  1
  Fe  Fe43  1  0.128683  0.292455  0.333311  1
  Fe  Fe44  1  0.872175  0.167455  0.353874  1
  Fe  Fe45  1  0.878970  0.167455  0.307673  1
  Fe  Fe46  1  0.128683  0.042455  0.333311  1
  Fe  Fe47  1  0.628683  0.042455  0.284921  1
  Fe  Fe48  1  0.378395  0.917455  0.307673  1
  Fe  Fe49  1  0.878970  0.667455  0.307673  1
  Fe  Fe50  1  0.128683  0.542455  0.333311  1
  Fe  Fe51  1  0.628683  0.542455  0.284921  1
  Fe  Fe52  1  0.378395  0.417455  0.307673  1
  Fe  Fe53  1  0.385190  0.917455  0.353874  1
  Fe  Fe54  1  0.628683  0.292455  0.284921  1
  Fe  Fe55  1  0.128683  0.792455  0.333311  1
  Fe  Fe56  1  0.872175  0.667455  0.353874  1
  Fe  Fe57  1  0.379509  0.917455  0.445327  1
  Fe  Fe58  1  0.628683  0.292455  0.377493  1
  Fe  Fe59  1  0.128683  0.792455  0.422810  1
  Fe  Fe60  1  0.877856  0.667455  0.445327  1
  Fe  Fe61  1  0.880727  0.667455  0.399710  1
  Fe  Fe62  1  0.128683  0.542455  0.422810  1
  Fe  Fe63  1  0.628683  0.542455  0.377493  1
  Fe  Fe64  1  0.376638  0.417455  0.399710  1
  Fe  Fe65  1  0.880727  0.167455  0.399710  1
  Fe  Fe66  1  0.128683  0.042455  0.422810  1
  Fe  Fe67  1  0.628683  0.042455  0.377493  1
  Fe  Fe68  1  0.376638  0.917455  0.399710  1
  Fe  Fe69  1  0.379509  0.417455  0.445327  1
  Fe  Fe70  1  0.628683  0.792455  0.377493  1
  Fe  Fe71  1  0.128683  0.292455  0.422810  1
  Fe  Fe72  1  0.877856  0.167455  0.445327  1
  Fe  Fe73  1  0.378675  0.417455  0.536387  1
  Fe  Fe74  1  0.628683  0.792455  0.468206  1
  Fe  Fe75  1  0.128683  0.292455  0.513652  1
  Fe  Fe76  1  0.878690  0.167455  0.536387  1
  Fe  Fe77  1  0.878965  0.167455  0.490869  1
  Fe  Fe78  1  0.128683  0.042455  0.513652  1
  Fe  Fe79  1  0.628683  0.042455  0.468206  1
  Fe  Fe80  1  0.378400  0.917455  0.490869  1
  Fe  Fe81  1  0.878965  0.667455  0.490869  1
  Fe  Fe82  1  0.128683  0.542455  0.513652  1
  Fe  Fe83  1  0.628683  0.542455  0.468206  1
  Fe  Fe84  1  0.378400  0.417455  0.490869  1
  Fe  Fe85  1  0.378675  0.917455  0.536387  1
  Fe  Fe86  1  0.628683  0.292455  0.468206  1
  Fe  Fe87  1  0.128683  0.792455  0.513652  1
  Fe  Fe88  1  0.878690  0.667455  0.536387  1
  Fe  Fe89  1  0.377874  0.917455  0.627464  1
  Fe  Fe90  1  0.628683  0.292455  0.559120  1
  Fe  Fe91  1  0.128683  0.792455  0.604507  1
  Fe  Fe92  1  0.879491  0.667455  0.627464  1
  Fe  Fe93  1  0.878170  0.667455  0.581908  1
  Fe  Fe94  1  0.128683  0.542455  0.604507  1
  Fe  Fe95  1  0.628683  0.542455  0.559120  1
  Fe  Fe96  1  0.379195  0.417455  0.581908  1
  Fe  Fe97  1  0.878170  0.167455  0.581908  1
  Fe  Fe98  1  0.128683  0.042455  0.604507  1
  Fe  Fe99  1  0.628683  0.042455  0.559120  1
  Fe  Fe100  1  0.379195  0.917455  0.581908  1
  Fe  Fe101  1  0.377874  0.417455  0.627464  1
  Fe  Fe102  1  0.628683  0.792455  0.559120  1
  Fe  Fe103  1  0.128683  0.292455  0.604507  1
  Fe  Fe104  1  0.879491  0.167455  0.627464  1
  Fe  Fe105  1  0.473788  0.417455  0.718878  1
  Fe  Fe106  1  0.628683  0.792455  0.649558  1
  Fe  Fe107  1  0.128683  0.292455  0.700787  1
  Fe  Fe108  1  0.783577  0.167455  0.718878  1
  Fe  Fe109  1  0.891017  0.167455  0.673525  1
  Fe  Fe110  1  0.128683  0.042455  0.700787  1
  Fe  Fe111  1  0.628683  0.042455  0.649558  1
  Fe  Fe112  1  0.366349  0.917455  0.673525  1
  Fe  Fe113  1  0.891017  0.667455  0.673525  1
  Fe  Fe114  1  0.128683  0.542455  0.700787  1
  Fe  Fe115  1  0.628683  0.542455  0.649558  1
  Fe  Fe116  1  0.366349  0.417455  0.673525  1
  Fe  Fe117  1  0.473788  0.917455  0.718878  1
  Fe  Fe118  1  0.628683  0.292455  0.649558  1
  Fe  Fe119  1  0.128683  0.792455  0.700787  1
  Fe  Fe120  1  0.783577  0.667455  0.718878  1
