# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86651504
_cell_length_b   8.00229311
_cell_length_c   57.38265678
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.53776594
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al32 Fe32'
_cell_volume   1733.64306628
_cell_formula_units_Z   32
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  0.117516  0.373327  0.169651  1
  Al  Al2  1  0.843006  0.914068  0.183636  1
  Al  Al3  1  0.630040  0.344448  0.199187  1
  Al  Al4  1  0.397475  0.808951  0.211229  1
  Al  Al5  1  0.139195  0.318437  0.228559  1
  Al  Al6  1  0.920303  0.761603  0.240815  1
  Al  Al7  1  0.669816  0.255800  0.256569  1
  Al  Al8  1  0.431193  0.732222  0.270818  1
  Al  Al9  1  0.206045  0.183981  0.284319  1
  Al  Al10  1  0.950673  0.688773  0.300148  1
  Al  Al11  1  0.724389  1.143144  0.313557  1
  Al  Al12  1  0.485035  0.620351  0.328474  1
  Al  Al13  1  0.238485  1.108738  0.342848  1
  Al  Al14  1  1.016454  0.555360  0.355449  1
  Al  Al15  1  0.765231  1.051625  0.373733  1
  Al  Al16  1  0.519172  0.541141  0.384263  1
  Al  Al17  1  0.202682  0.187135  0.423402  1
  Al  Al18  1  0.933241  0.712003  0.440069  1
  Al  Al19  1  0.707306  0.168936  0.453215  1
  Al  Al20  1  0.463267  0.650858  0.468542  1
  Al  Al21  1  0.215931  1.141083  0.483364  1
  Al  Al22  1  0.997033  0.583177  0.496143  1
  Al  Al23  1  0.740188  1.089873  0.512036  1
  Al  Al24  1  0.512075  0.547139  0.525525  1
  Al  Al25  1  0.276930  1.018095  0.539964  1
  Al  Al26  1  0.023415  0.516259  0.555439  1
  Al  Al27  1  0.807961  0.955947  0.568105  1
  Al  Al28  1  0.551467  0.457656  0.584142  1
  Al  Al29  1  0.316392  0.933054  0.597625  1
  Al  Al30  1  0.090186  0.378331  0.613444  1
  Al  Al31  1  0.840160  0.889562  0.627685  1
  Al  Al32  1  0.460652  0.640466  0.622356  1
  Fe  Fe33  1  0.246830  1.112385  0.196129  1
  Fe  Fe34  1  1.004526  0.589357  0.203421  1
  Fe  Fe35  1  0.770950  1.059580  0.222428  1
  Fe  Fe36  1  0.530818  0.537943  0.235264  1
  Fe  Fe37  1  0.292991  1.011723  0.246785  1
  Fe  Fe38  1  0.055649  0.486659  0.266038  1
  Fe  Fe39  1  0.815495  0.963466  0.275461  1
  Fe  Fe40  1  0.577213  0.438910  0.292197  1
  Fe  Fe41  1  0.341477  0.909418  0.308629  1
  Fe  Fe42  1  0.101734  0.386552  0.318450  1
  Fe  Fe43  1  0.863239  0.860971  0.337450  1
  Fe  Fe44  1  0.629273  0.331621  0.350551  1
  Fe  Fe45  1  0.379497  0.823534  0.363402  1
  Fe  Fe46  1  0.156895  0.281896  0.378509  1
  Fe  Fe47  1  0.913998  0.757413  0.388088  1
  Fe  Fe48  1  0.661494  0.274019  0.402908  1
  Fe  Fe49  1  0.405185  0.773053  0.413755  1
  Fe  Fe50  1  0.041460  0.493577  0.409600  1
  Fe  Fe51  1  0.801507  0.981082  0.417617  1
  Fe  Fe52  1  0.552015  0.468787  0.434292  1
  Fe  Fe53  1  0.322277  0.936222  0.450386  1
  Fe  Fe54  1  0.083144  0.408945  0.458432  1
  Fe  Fe55  1  0.845718  0.886700  0.477680  1
  Fe  Fe56  1  0.604788  0.365127  0.488014  1
  Fe  Fe57  1  0.365304  0.842117  0.503164  1
  Fe  Fe58  1  0.129879  0.312278  0.521387  1
  Fe  Fe59  1  0.889770  0.789490  0.530029  1
  Fe  Fe60  1  0.653807  0.260764  0.549420  1
  Fe  Fe61  1  0.415287  0.736566  0.562025  1
  Fe  Fe62  1  0.172078  0.218443  0.574593  1
  Fe  Fe63  1  0.940968  0.684859  0.592897  1
  Fe  Fe64  1  0.699732  1.161547  0.601370  1
