# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28072276
_cell_length_b   9.28072276
_cell_length_c   49.04487090
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al48 Fe96'
_cell_volume   3658.37167504
_cell_formula_units_Z   48
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  0.362474  0.347874  0.328511  1
  Al  Al2  1  0.860819  0.860526  0.270844  1
  Al  Al3  1  0.860819  0.860526  0.321948  1
  Al  Al4  1  0.019276  0.038336  0.342331  1
  Al  Al5  1  0.348166  0.871523  0.328511  1
  Al  Al6  1  0.524551  0.018983  0.342331  1
  Al  Al7  1  0.871815  0.362182  0.328511  1
  Al  Al8  1  0.038629  0.524258  0.342331  1
  Al  Al9  1  0.025841  0.027050  0.398934  1
  Al  Al10  1  0.527485  0.527193  0.341234  1
  Al  Al11  1  0.527485  0.527193  0.399235  1
  Al  Al12  1  0.694693  0.694674  0.418318  1
  Al  Al13  1  0.027342  0.528980  0.398934  1
  Al  Al14  1  0.192797  0.694400  0.418318  1
  Al  Al15  1  0.529272  0.025548  0.398934  1
  Al  Al16  1  0.694966  0.192504  0.418318  1
  Al  Al17  1  0.694347  0.694067  0.476118  1
  Al  Al18  1  0.194152  0.193859  0.419064  1
  Al  Al19  1  0.194152  0.193859  0.476299  1
  Al  Al20  1  0.360841  0.360536  0.495481  1
  Al  Al21  1  0.694359  0.193457  0.476118  1
  Al  Al22  1  0.860786  0.360549  0.495481  1
  Al  Al23  1  0.193750  0.694054  0.476118  1
  Al  Al24  1  0.360829  0.860493  0.495481  1
  Al  Al25  1  0.360774  0.360484  0.553200  1
  Al  Al26  1  0.860819  0.860526  0.495243  1
  Al  Al27  1  0.860819  0.860526  0.553326  1
  Al  Al28  1  0.027389  0.027098  0.572565  1
  Al  Al29  1  0.360776  0.860612  0.553200  1
  Al  Al30  1  0.527676  0.027097  0.572565  1
  Al  Al31  1  0.860905  0.360482  0.553200  1
  Al  Al32  1  0.027390  0.527384  0.572565  1
  Al  Al33  1  0.026859  0.026564  0.630493  1
  Al  Al34  1  0.527485  0.527193  0.572463  1
  Al  Al35  1  0.527485  0.527193  0.630044  1
  Al  Al36  1  0.694351  0.694058  0.649357  1
  Al  Al37  1  0.026856  0.528448  0.630493  1
  Al  Al38  1  0.193754  0.694058  0.649357  1
  Al  Al39  1  0.528741  0.026566  0.630493  1
  Al  Al40  1  0.694351  0.193462  0.649357  1
  Al  Al41  1  0.691008  0.690713  0.704343  1
  Al  Al42  1  0.194152  0.193859  0.649085  1
  Al  Al43  1  0.194152  0.193859  0.704055  1
  Al  Al44  1  0.361962  0.361672  0.721867  1
  Al  Al45  1  0.691006  0.200149  0.704343  1
  Al  Al46  1  0.858528  0.361670  0.721867  1
  Al  Al47  1  0.200441  0.690716  0.704343  1
  Al  Al48  1  0.361965  0.858236  0.721867  1
  Fe  Fe49  1  0.194152  0.193859  0.328508  1
  Fe  Fe50  1  0.330509  0.024370  0.286520  1
  Fe  Fe51  1  0.698339  0.474667  0.289881  1
  Fe  Fe52  1  0.624458  0.812963  0.285787  1
  Fe  Fe53  1  0.673695  0.687342  0.327837  1
  Fe  Fe54  1  0.910999  0.572760  0.295542  1
  Fe  Fe55  1  0.024663  0.226991  0.286520  1
  Fe  Fe56  1  0.227283  0.330217  0.286520  1
  Fe  Fe57  1  0.221126  0.673402  0.327837  1
  Fe  Fe58  1  0.409157  0.698046  0.289881  1
  Fe  Fe59  1  0.573052  0.098112  0.295542  1
  Fe  Fe60  1  0.474960  0.408864  0.289881  1
  Fe  Fe61  1  0.687635  0.220834  0.327837  1
  Fe  Fe62  1  0.813255  0.144449  0.285787  1
  Fe  Fe63  1  0.144742  0.624166  0.285787  1
  Fe  Fe64  1  0.098404  0.910706  0.295542  1
  Fe  Fe65  1  0.860819  0.860526  0.407057  1
  Fe  Fe66  1  0.028939  0.778957  0.367426  1
  Fe  Fe67  1  0.278299  0.272799  0.371563  1
  Fe  Fe68  1  0.277142  0.529022  0.371232  1
  Fe  Fe69  1  0.362481  0.359644  0.409103  1
  Fe  Fe70  1  0.531609  0.274182  0.370855  1
  Fe  Fe71  1  0.779249  0.773975  0.367426  1
  Fe  Fe72  1  0.774267  0.028647  0.367426  1
  Fe  Fe73  1  0.860037  0.362189  0.409103  1
  Fe  Fe74  1  0.031066  0.278006  0.371563  1
  Fe  Fe75  1  0.274475  0.776079  0.370855  1
  Fe  Fe76  1  0.273091  0.030773  0.371563  1
  Fe  Fe77  1  0.359937  0.859745  0.409103  1
  Fe  Fe78  1  0.529315  0.775706  0.371232  1
  Fe  Fe79  1  0.775999  0.276850  0.371232  1
  Fe  Fe80  1  0.776372  0.531317  0.370855  1
  Fe  Fe81  1  0.527485  0.527193  0.485921  1
  Fe  Fe82  1  0.694004  0.443898  0.447426  1
  Fe  Fe83  1  0.943852  0.943501  0.446684  1
  Fe  Fe84  1  0.943996  0.193704  0.447339  1
  Fe  Fe85  1  0.026322  0.026591  0.485736  1
  Fe  Fe86  1  0.193893  0.943760  0.447479  1
  Fe  Fe87  1  0.444190  0.443969  0.447426  1
  Fe  Fe88  1  0.444262  0.693711  0.447426  1
  Fe  Fe89  1  0.529250  0.026029  0.485736  1
  Fe  Fe90  1  0.694810  0.943560  0.446684  1
  Fe  Fe91  1  0.944053  0.444218  0.447479  1
  Fe  Fe92  1  0.943793  0.694518  0.446684  1
  Fe  Fe93  1  0.026884  0.528958  0.485736  1
  Fe  Fe94  1  0.193997  0.444171  0.447339  1
  Fe  Fe95  1  0.444464  0.943703  0.447339  1
  Fe  Fe96  1  0.444510  0.193600  0.447479  1
  Fe  Fe97  1  0.194152  0.193859  0.562779  1
  Fe  Fe98  1  0.360966  0.110482  0.524249  1
  Fe  Fe99  1  0.610862  0.610602  0.524405  1
  Fe  Fe100  1  0.610887  0.860538  0.524360  1
  Fe  Fe101  1  0.694742  0.694313  0.562908  1
  Fe  Fe102  1  0.860814  0.610590  0.524323  1
  Fe  Fe103  1  0.110774  0.110423  0.524249  1
  Fe  Fe104  1  0.110715  0.360674  0.524249  1
  Fe  Fe105  1  0.193108  0.694449  0.562908  1
  Fe  Fe106  1  0.360699  0.610569  0.524405  1
  Fe  Fe107  1  0.610882  0.110467  0.524323  1
  Fe  Fe108  1  0.610895  0.360406  0.524405  1
  Fe  Fe109  1  0.694606  0.192815  0.562908  1
  Fe  Fe110  1  0.860830  0.110446  0.524360  1
  Fe  Fe111  1  0.110738  0.610594  0.524360  1
  Fe  Fe112  1  0.110759  0.860522  0.524323  1
  Fe  Fe113  1  0.860819  0.860526  0.640861  1
  Fe  Fe114  1  0.027083  0.777386  0.601725  1
  Fe  Fe115  1  0.277472  0.277173  0.601315  1
  Fe  Fe116  1  0.277309  0.527269  0.601304  1
  Fe  Fe117  1  0.360756  0.360494  0.639739  1
  Fe  Fe118  1  0.527564  0.277019  0.601313  1
  Fe  Fe119  1  0.777679  0.777401  0.601725  1
  Fe  Fe120  1  0.777694  0.026791  0.601725  1
  Fe  Fe121  1  0.860914  0.360463  0.639739  1
  Fe  Fe122  1  0.027518  0.277179  0.601315  1
  Fe  Fe123  1  0.277312  0.777287  0.601313  1
  Fe  Fe124  1  0.277466  0.027226  0.601315  1
  Fe  Fe125  1  0.360786  0.860621  0.639739  1
  Fe  Fe126  1  0.527562  0.777292  0.601304  1
  Fe  Fe127  1  0.777584  0.277017  0.601304  1
  Fe  Fe128  1  0.777580  0.527272  0.601313  1
  Fe  Fe129  1  0.527485  0.527193  0.720458  1
  Fe  Fe130  1  0.691312  0.445279  0.677746  1
  Fe  Fe131  1  0.945172  0.944878  0.679864  1
  Fe  Fe132  1  0.945241  0.191187  0.677864  1
  Fe  Fe133  1  0.035074  0.034774  0.720860  1
  Fe  Fe134  1  0.191483  0.944946  0.677863  1
  Fe  Fe135  1  0.445572  0.445279  0.677746  1
  Fe  Fe136  1  0.445572  0.691020  0.677746  1
  Fe  Fe137  1  0.512315  0.034781  0.720860  1
  Fe  Fe138  1  0.692114  0.944879  0.679864  1
  Fe  Fe139  1  0.945239  0.445441  0.677863  1
  Fe  Fe140  1  0.945170  0.691821  0.679864  1
  Fe  Fe141  1  0.035067  0.512022  0.720860  1
  Fe  Fe142  1  0.191479  0.445443  0.677864  1
  Fe  Fe143  1  0.445735  0.944949  0.677864  1
  Fe  Fe144  1  0.445734  0.191190  0.677863  1
