# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04008845
_cell_length_b   8.96819155
_cell_length_c   47.15304504
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al33 Fe33'
_cell_volume   1665.20342486
_cell_formula_units_Z   33
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  0.536639  0.653373  0.274148  1
  Al  Al2  1  0.697526  0.976413  0.286942  1
  Al  Al3  1  0.855898  0.293833  0.299849  1
  Al  Al4  1  0.011274  0.604502  0.314194  1
  Al  Al5  1  0.169920  0.922184  0.329531  1
  Al  Al6  1  0.326450  0.235649  0.343570  1
  Al  Al7  1  0.485041  0.553032  0.357162  1
  Al  Al8  1  0.642859  0.868842  0.370835  1
  Al  Al9  1  0.800373  0.184086  0.384706  1
  Al  Al10  1  0.958028  0.499617  0.398536  1
  Al  Al11  1  0.115424  0.814651  0.412451  1
  Al  Al12  1  0.273405  0.130856  0.426527  1
  Al  Al13  1  0.431156  0.446592  0.440400  1
  Al  Al14  1  0.588757  0.762022  0.454271  1
  Al  Al15  1  0.746466  0.077664  0.468154  1
  Al  Al16  1  0.904185  0.393327  0.482047  1
  Al  Al17  1  0.061882  0.708951  0.495958  1
  Al  Al18  1  0.219536  0.024490  0.509836  1
  Al  Al19  1  0.377234  0.340120  0.523749  1
  Al  Al20  1  0.535032  0.655947  0.537714  1
  Al  Al21  1  0.692678  0.971467  0.551583  1
  Al  Al22  1  0.850237  0.286813  0.565437  1
  Al  Al23  1  0.008022  0.602609  0.579286  1
  Al  Al24  1  0.165854  0.918489  0.593291  1
  Al  Al25  1  0.323386  0.233791  0.607133  1
  Al  Al26  1  0.481231  0.549745  0.620913  1
  Al  Al27  1  0.639142  0.865816  0.635415  1
  Al  Al28  1  0.796263  0.180225  0.649016  1
  Al  Al29  1  0.953850  0.495628  0.662535  1
  Al  Al30  1  0.111513  0.811242  0.676040  1
  Al  Al31  1  0.271375  0.130903  0.690241  1
  Al  Al32  1  0.426510  0.441804  0.705081  1
  Al  Al33  1  0.581891  0.753771  0.718596  1
  Fe  Fe34  1  0.120411  0.821573  0.281314  1
  Fe  Fe35  1  0.275769  0.133254  0.295178  1
  Fe  Fe36  1  0.431150  0.444398  0.309685  1
  Fe  Fe37  1  0.591301  0.764705  0.322497  1
  Fe  Fe38  1  0.749181  0.080898  0.335899  1
  Fe  Fe39  1  0.905852  0.394580  0.349727  1
  Fe  Fe40  1  0.063315  0.709685  0.363525  1
  Fe  Fe41  1  0.221267  0.025766  0.378057  1
  Fe  Fe42  1  0.379227  0.341904  0.391853  1
  Fe  Fe43  1  0.536930  0.657537  0.405633  1
  Fe  Fe44  1  0.694517  0.972956  0.419513  1
  Fe  Fe45  1  0.852303  0.288769  0.433383  1
  Fe  Fe46  1  0.009907  0.604210  0.447277  1
  Fe  Fe47  1  0.167536  0.919694  0.461165  1
  Fe  Fe48  1  0.325341  0.235525  0.475123  1
  Fe  Fe49  1  0.483057  0.551186  0.489045  1
  Fe  Fe50  1  0.640715  0.866732  0.502921  1
  Fe  Fe51  1  0.798382  0.182300  0.516794  1
  Fe  Fe52  1  0.956087  0.497945  0.530687  1
  Fe  Fe53  1  0.113878  0.813751  0.544621  1
  Fe  Fe54  1  0.271464  0.129155  0.558492  1
  Fe  Fe55  1  0.429119  0.444691  0.572366  1
  Fe  Fe56  1  0.587184  0.761032  0.586441  1
  Fe  Fe57  1  0.744504  0.075912  0.600302  1
  Fe  Fe58  1  0.902060  0.391272  0.614035  1
  Fe  Fe59  1  0.059868  0.707159  0.627794  1
  Fe  Fe60  1  0.217922  0.023472  0.641862  1
  Fe  Fe61  1  0.376103  0.340006  0.655539  1
  Fe  Fe62  1  0.532329  0.652754  0.669517  1
  Fe  Fe63  1  0.691082  0.970436  0.684612  1
  Fe  Fe64  1  0.848292  0.285025  0.697409  1
  Fe  Fe65  1  0.005490  0.600321  0.710495  1
  Fe  Fe66  1  0.163138  0.917294  0.723700  1
