# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.25378625
_cell_length_b   4.63004762
_cell_length_c   47.20054019
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   54.05480295
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al33 Fe66'
_cell_volume   2521.86488474
_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  0.685762  0.046947  0.307022  1
  Al  Al2  1  0.078688  0.446396  0.281829  1
  Al  Al3  1  0.383359  0.237320  0.294322  1
  Al  Al4  1  0.603153  0.474394  0.349202  1
  Al  Al5  1  0.991811  0.860782  0.324005  1
  Al  Al6  1  0.296614  0.669469  0.335507  1
  Al  Al7  1  0.518401  0.914528  0.389615  1
  Al  Al8  1  0.907433  0.298213  0.363542  1
  Al  Al9  1  0.212616  0.105781  0.376010  1
  Al  Al10  1  0.434227  0.350153  0.429879  1
  Al  Al11  1  0.823545  0.729180  0.403541  1
  Al  Al12  1  0.128711  0.539929  0.416365  1
  Al  Al13  1  0.350366  0.784409  0.470073  1
  Al  Al14  1  0.739349  0.163311  0.443472  1
  Al  Al15  1  0.045069  0.973271  0.456687  1
  Al  Al16  1  0.266567  0.218155  0.510221  1
  Al  Al17  1  0.655439  0.597174  0.483534  1
  Al  Al18  1  0.961003  0.407664  0.496878  1
  Al  Al19  1  0.182657  0.652018  0.550283  1
  Al  Al20  1  0.571640  0.030920  0.523682  1
  Al  Al21  1  0.876937  0.842057  0.537068  1
  Al  Al22  1  0.098461  0.086149  0.590214  1
  Al  Al23  1  0.487779  0.465176  0.563876  1
  Al  Al24  1  0.793295  0.275400  0.577390  1
  Al  Al25  1  0.014573  0.517116  0.630214  1
  Al  Al26  1  0.403605  0.900801  0.604140  1
  Al  Al27  1  0.709390  0.709547  0.617745  1
  Al  Al28  1  0.930195  0.954547  0.669750  1
  Al  Al29  1  0.318853  0.340935  0.644553  1
  Al  Al30  1  0.625392  0.145860  0.658248  1
  Al  Al31  1  0.843318  0.368933  0.711926  1
  Al  Al32  1  0.236244  0.768382  0.686733  1
  Al  Al33  1  0.538647  0.578009  0.699433  1
  Fe  Fe34  1  0.847214  0.064836  0.285831  1
  Fe  Fe35  1  0.147751  0.837875  0.298389  1
  Fe  Fe36  1  0.459243  0.630642  0.312215  1
  Fe  Fe37  1  0.911144  0.479514  0.305430  1
  Fe  Fe38  1  0.296391  0.889748  0.280711  1
  Fe  Fe39  1  0.607927  0.680774  0.293164  1
  Fe  Fe40  1  0.762581  0.452809  0.326950  1
  Fe  Fe41  1  0.067447  0.258200  0.338656  1
  Fe  Fe42  1  0.375132  0.064415  0.352228  1
  Fe  Fe43  1  0.827613  0.902830  0.346270  1
  Fe  Fe44  1  0.218727  0.284744  0.321418  1
  Fe  Fe45  1  0.524487  0.086905  0.334335  1
  Fe  Fe46  1  0.679947  0.877697  0.366252  1
  Fe  Fe47  1  0.984175  0.691000  0.378862  1
  Fe  Fe48  1  0.290844  0.499483  0.392354  1
  Fe  Fe49  1  0.745408  0.333336  0.387247  1
  Fe  Fe50  1  0.135089  0.715778  0.360760  1
  Fe  Fe51  1  0.439875  0.523475  0.373689  1
  Fe  Fe52  1  0.595598  0.311428  0.405891  1
  Fe  Fe53  1  0.901312  0.122439  0.419174  1
  Fe  Fe54  1  0.206864  0.933400  0.432516  1
  Fe  Fe55  1  0.661384  0.768759  0.427437  1
  Fe  Fe56  1  0.051171  0.147748  0.400748  1
  Fe  Fe57  1  0.356147  0.957117  0.413851  1
  Fe  Fe58  1  0.511834  0.744970  0.445919  1
  Fe  Fe59  1  0.817369  0.556530  0.459323  1
  Fe  Fe60  1  0.122958  0.366946  0.472687  1
  Fe  Fe61  1  0.577554  0.203032  0.467560  1
  Fe  Fe62  1  0.967271  0.580290  0.440872  1
  Fe  Fe63  1  0.272336  0.390964  0.454064  1
  Fe  Fe64  1  0.428131  0.178605  0.486049  1
  Fe  Fe65  1  0.733416  0.990666  0.499475  1
  Fe  Fe66  1  0.038880  0.801048  0.512800  1
  Fe  Fe67  1  0.493875  0.636724  0.507706  1
  Fe  Fe68  1  0.883126  0.014281  0.480955  1
  Fe  Fe69  1  0.188590  0.824663  0.494280  1
  Fe  Fe70  1  0.344452  0.612297  0.526196  1
  Fe  Fe71  1  0.649670  0.424365  0.539691  1
  Fe  Fe72  1  0.954735  0.235039  0.552883  1
  Fe  Fe73  1  0.410172  0.070359  0.547836  1
  Fe  Fe74  1  0.799048  0.448383  0.521069  1
  Fe  Fe75  1  0.104637  0.258799  0.534432  1
  Fe  Fe76  1  0.260622  0.046569  0.566318  1
  Fe  Fe77  1  0.565859  0.858211  0.579904  1
  Fe  Fe78  1  0.870835  0.667581  0.593007  1
  Fe  Fe79  1  0.326408  0.503901  0.587864  1
  Fe  Fe80  1  0.715142  0.881929  0.561239  1
  Fe  Fe81  1  0.020694  0.692889  0.574581  1
  Fe  Fe82  1  0.176598  0.481993  0.606508  1
  Fe  Fe83  1  0.482131  0.291853  0.620066  1
  Fe  Fe84  1  0.786916  0.099551  0.632995  1
  Fe  Fe85  1  0.242059  0.937632  0.627503  1
  Fe  Fe86  1  0.631162  0.315846  0.601401  1
  Fe  Fe87  1  0.937831  0.124329  0.614893  1
  Fe  Fe88  1  0.094393  0.912499  0.647485  1
  Fe  Fe89  1  0.397519  0.728424  0.659420  1
  Fe  Fe90  1  0.703279  0.530585  0.672337  1
  Fe  Fe91  1  0.159425  0.362520  0.666805  1
  Fe  Fe92  1  0.546874  0.750914  0.641527  1
  Fe  Fe93  1  0.854559  0.557129  0.655099  1
  Fe  Fe94  1  0.010862  0.335815  0.688325  1
  Fe  Fe95  1  0.314079  0.134555  0.700591  1
  Fe  Fe96  1  0.625614  0.925581  0.713044  1
  Fe  Fe97  1  0.074792  0.750493  0.707924  1
  Fe  Fe98  1  0.462763  0.184687  0.681540  1
  Fe  Fe99  1  0.774255  0.977454  0.695367  1
