# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65311699
_cell_length_b   13.06814648
_cell_length_c   49.47745811
_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   'Al30 Fe30'
_cell_volume   1715.44885498
_cell_formula_units_Z   30
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  0.400865  0.699195  0.292157  1
  Al  Al2  1  0.900865  1.058828  0.278048  1
  Al  Al3  1  0.900865  0.534905  0.272089  1
  Al  Al4  1  0.900865  0.650299  0.336857  1
  Al  Al5  1  0.400865  0.999468  0.321779  1
  Al  Al6  1  0.900865  0.352215  0.302757  1
  Al  Al7  1  0.400865  0.593401  0.380995  1
  Al  Al8  1  0.900865  0.940288  0.366124  1
  Al  Al9  1  0.400865  0.299209  0.348228  1
  Al  Al10  1  0.900865  0.531775  0.423389  1
  Al  Al11  1  0.400865  0.879515  0.412242  1
  Al  Al12  1  0.900865  0.235240  0.391627  1
  Al  Al13  1  0.400865  0.463097  0.464768  1
  Al  Al14  1  0.900865  0.820099  0.460938  1
  Al  Al15  1  0.400865  0.174111  0.434532  1
  Al  Al16  1  0.900865  0.503884  0.546505  1
  Al  Al17  1  0.400865  0.857896  0.520098  1
  Al  Al18  1  0.900865  0.214898  0.516269  1
  Al  Al19  1  0.400865  0.442755  0.589409  1
  Al  Al20  1  0.900865  0.798480  0.568794  1
  Al  Al21  1  0.400865  0.146221  0.557648  1
  Al  Al22  1  0.900865  0.378786  0.632808  1
  Al  Al23  1  0.400865  0.737707  0.614912  1
  Al  Al24  1  0.900865  1.084594  0.600042  1
  Al  Al25  1  0.400865  0.325780  0.678280  1
  Al  Al26  1  0.900865  0.678527  0.659258  1
  Al  Al27  1  0.400865  1.027696  0.644179  1
  Al  Al28  1  0.400865  0.143090  0.708948  1
  Al  Al29  1  0.400865  0.619168  0.702988  1
  Al  Al30  1  0.900865  0.978801  0.688879  1
  Fe  Fe31  1  0.400865  0.511972  0.314547  1
  Fe  Fe32  1  0.900865  0.867437  0.295305  1
  Fe  Fe33  1  0.900865  0.165990  0.321961  1
  Fe  Fe34  1  0.900865  0.461506  0.354013  1
  Fe  Fe35  1  0.400865  0.813758  0.336965  1
  Fe  Fe36  1  0.400865  1.107871  0.364265  1
  Fe  Fe37  1  0.400865  0.402259  0.394390  1
  Fe  Fe38  1  0.900865  0.757349  0.381586  1
  Fe  Fe39  1  0.900865  1.045617  0.408632  1
  Fe  Fe40  1  0.900865  0.340692  0.434885  1
  Fe  Fe41  1  0.400865  0.698320  0.426961  1
  Fe  Fe42  1  0.400865  0.984814  0.454167  1
  Fe  Fe43  1  0.400865  0.279825  0.476040  1
  Fe  Fe44  1  0.900865  0.632329  0.468937  1
  Fe  Fe45  1  0.900865  1.118220  0.474151  1
  Fe  Fe46  1  0.900865  0.398171  0.504997  1
  Fe  Fe47  1  0.400865  0.559775  0.506885  1
  Fe  Fe48  1  0.400865  1.045666  0.512100  1
  Fe  Fe49  1  0.400865  0.337303  0.546152  1
  Fe  Fe50  1  0.900865  0.693181  0.526869  1
  Fe  Fe51  1  0.900865  0.979675  0.554075  1
  Fe  Fe52  1  0.900865  0.275736  0.586647  1
  Fe  Fe53  1  0.400865  0.632378  0.572404  1
  Fe  Fe54  1  0.400865  0.920647  0.599451  1
  Fe  Fe55  1  0.400865  0.216489  0.627023  1
  Fe  Fe56  1  0.900865  0.570125  0.616771  1
  Fe  Fe57  1  0.900865  0.864238  0.644071  1
  Fe  Fe58  1  0.900865  0.166023  0.666489  1
  Fe  Fe59  1  0.400865  0.512005  0.659075  1
  Fe  Fe60  1  0.400865  0.810558  0.685731  1
