# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51431754
_cell_length_b   14.63883193
_cell_length_c   52.87484486
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al64 Fe128'
_cell_volume   5042.25093268
_cell_formula_units_Z   64
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  0.255336  0.446949  0.376100  1
  Al  Al2  1  0.258987  0.043147  0.323660  1
  Al  Al3  1  0.006579  0.897974  0.333834  1
  Al  Al4  1  0.029799  0.496606  0.283570  1
  Al  Al5  1  0.752187  0.850817  0.296244  1
  Al  Al6  1  0.748959  0.248199  0.348452  1
  Al  Al7  1  0.489941  0.701718  0.310266  1
  Al  Al8  1  0.506917  0.097499  0.362132  1
  Al  Al9  1  0.758987  0.543147  0.323660  1
  Al  Al10  1  0.755336  0.946949  0.376100  1
  Al  Al11  1  0.529799  0.996606  0.283570  1
  Al  Al12  1  0.506579  0.397974  0.333834  1
  Al  Al13  1  0.248959  0.748199  0.348452  1
  Al  Al14  1  0.252187  0.350817  0.296244  1
  Al  Al15  1  0.006917  0.597499  0.362132  1
  Al  Al16  1  0.989941  0.201718  0.310266  1
  Al  Al17  1  0.254578  0.246441  0.487360  1
  Al  Al18  1  0.254336  0.846538  0.431777  1
  Al  Al19  1  0.004537  0.696526  0.445658  1
  Al  Al20  1  0.004368  0.296543  0.390128  1
  Al  Al21  1  0.755129  0.646629  0.403984  1
  Al  Al22  1  0.754508  0.046477  0.459577  1
  Al  Al23  1  0.504337  0.496581  0.417973  1
  Al  Al24  1  0.504718  0.896458  0.473462  1
  Al  Al25  1  0.754336  0.346538  0.431777  1
  Al  Al26  1  0.754578  0.746441  0.487360  1
  Al  Al27  1  0.504368  0.796543  0.390128  1
  Al  Al28  1  0.504537  0.196526  0.445658  1
  Al  Al29  1  0.254508  0.546477  0.459577  1
  Al  Al30  1  0.255129  0.146629  0.403984  1
  Al  Al31  1  0.004718  0.396458  0.473462  1
  Al  Al32  1  0.004337  0.996581  0.417973  1
  Al  Al33  1  0.254550  0.046450  0.598444  1
  Al  Al34  1  0.254452  0.646345  0.542968  1
  Al  Al35  1  0.004689  0.496284  0.556829  1
  Al  Al36  1  0.004627  0.096387  0.501265  1
  Al  Al37  1  0.754484  0.446383  0.515165  1
  Al  Al38  1  0.754654  0.846232  0.570757  1
  Al  Al39  1  0.504586  0.296390  0.529074  1
  Al  Al40  1  0.504286  0.696342  0.584674  1
  Al  Al41  1  0.754452  0.146345  0.542968  1
  Al  Al42  1  0.754550  0.546450  0.598444  1
  Al  Al43  1  0.504627  0.596387  0.501265  1
  Al  Al44  1  0.504689  0.996284  0.556829  1
  Al  Al45  1  0.254654  0.346232  0.570757  1
  Al  Al46  1  0.254484  0.946383  0.515165  1
  Al  Al47  1  0.004286  0.196342  0.584674  1
  Al  Al48  1  0.004586  0.796390  0.529074  1
  Al  Al49  1  0.256922  0.852061  0.706054  1
  Al  Al50  1  0.247738  0.445009  0.653783  1
  Al  Al51  1  0.007148  0.297298  0.667948  1
  Al  Al52  1  0.003871  0.896007  0.612323  1
  Al  Al53  1  0.754769  0.245573  0.626751  1
  Al  Al54  1  0.753295  0.647633  0.679760  1
  Al  Al55  1  0.505811  0.096046  0.640493  1
  Al  Al56  1  0.490381  0.487815  0.690787  1
  Al  Al57  1  0.747738  0.945009  0.653783  1
  Al  Al58  1  0.756922  0.352061  0.706054  1
  Al  Al59  1  0.503871  0.396007  0.612323  1
  Al  Al60  1  0.507148  0.797298  0.667948  1
  Al  Al61  1  0.253295  0.147633  0.679760  1
  Al  Al62  1  0.254769  0.745573  0.626751  1
  Al  Al63  1  0.990381  0.987815  0.690787  1
  Al  Al64  1  0.005811  0.596046  0.640493  1
  Fe  Fe65  1  0.381156  0.572955  0.341202  1
  Fe  Fe66  1  0.293291  0.137978  0.285785  1
  Fe  Fe67  1  0.626754  0.521453  0.369981  1
  Fe  Fe68  1  0.622308  0.125739  0.313343  1
  Fe  Fe69  1  0.137695  0.473136  0.328346  1
  Fe  Fe70  1  0.129920  0.871759  0.383320  1
  Fe  Fe71  1  0.878190  0.421173  0.355244  1
  Fe  Fe72  1  0.907638  0.033210  0.297806  1
  Fe  Fe73  1  0.884306  0.772071  0.368436  1
  Fe  Fe74  1  0.871757  0.369296  0.312573  1
  Fe  Fe75  1  0.161128  0.942506  0.283225  1
  Fe  Fe76  1  0.126408  0.322667  0.342493  1
  Fe  Fe77  1  0.633733  0.671805  0.356051  1
  Fe  Fe78  1  0.610704  0.276311  0.294867  1
  Fe  Fe79  1  0.377786  0.622612  0.382993  1
  Fe  Fe80  1  0.372837  0.222242  0.325662  1
  Fe  Fe81  1  0.793291  0.637978  0.285785  1
  Fe  Fe82  1  0.881156  0.072955  0.341202  1
  Fe  Fe83  1  0.122308  0.625739  0.313343  1
  Fe  Fe84  1  0.126754  0.021453  0.369981  1
  Fe  Fe85  1  0.629920  0.371759  0.383320  1
  Fe  Fe86  1  0.637695  0.973136  0.328346  1
  Fe  Fe87  1  0.407638  0.533210  0.297806  1
  Fe  Fe88  1  0.378190  0.921173  0.355244  1
  Fe  Fe89  1  0.371757  0.869296  0.312573  1
  Fe  Fe90  1  0.384306  0.272071  0.368436  1
  Fe  Fe91  1  0.626408  0.822667  0.342493  1
  Fe  Fe92  1  0.661128  0.442506  0.283225  1
  Fe  Fe93  1  0.110704  0.776311  0.294867  1
  Fe  Fe94  1  0.133733  0.171805  0.356051  1
  Fe  Fe95  1  0.872837  0.722242  0.325662  1
  Fe  Fe96  1  0.877786  0.122612  0.382993  1
  Fe  Fe97  1  0.380296  0.371286  0.452512  1
  Fe  Fe98  1  0.381332  0.971596  0.396941  1
  Fe  Fe99  1  0.629547  0.321460  0.480437  1
  Fe  Fe100  1  0.629636  0.921637  0.424901  1
  Fe  Fe101  1  0.129600  0.271550  0.438757  1
  Fe  Fe102  1  0.129585  0.671422  0.494313  1
  Fe  Fe103  1  0.879403  0.221464  0.466504  1
  Fe  Fe104  1  0.877381  0.821405  0.410612  1
  Fe  Fe105  1  0.879688  0.571419  0.480416  1
  Fe  Fe106  1  0.879891  0.171496  0.424804  1
  Fe  Fe107  1  0.128462  0.721828  0.397178  1
  Fe  Fe108  1  0.129605  0.121523  0.452645  1
  Fe  Fe109  1  0.629615  0.471476  0.466543  1
  Fe  Fe110  1  0.629944  0.071598  0.410916  1
  Fe  Fe111  1  0.379395  0.421389  0.494289  1
  Fe  Fe112  1  0.379329  0.021551  0.438682  1
  Fe  Fe113  1  0.881332  0.471596  0.396941  1
  Fe  Fe114  1  0.880296  0.871286  0.452512  1
  Fe  Fe115  1  0.129636  0.421637  0.424901  1
  Fe  Fe116  1  0.129547  0.821460  0.480437  1
  Fe  Fe117  1  0.629585  0.171422  0.494313  1
  Fe  Fe118  1  0.629600  0.771550  0.438757  1
  Fe  Fe119  1  0.377381  0.321405  0.410612  1
  Fe  Fe120  1  0.379403  0.721464  0.466504  1
  Fe  Fe121  1  0.379891  0.671496  0.424804  1
  Fe  Fe122  1  0.379688  0.071419  0.480416  1
  Fe  Fe123  1  0.629605  0.621523  0.452645  1
  Fe  Fe124  1  0.628462  0.221828  0.397178  1
  Fe  Fe125  1  0.129944  0.571598  0.410916  1
  Fe  Fe126  1  0.129615  0.971476  0.466543  1
  Fe  Fe127  1  0.879329  0.521551  0.438682  1
  Fe  Fe128  1  0.879395  0.921389  0.494289  1
  Fe  Fe129  1  0.379013  0.171486  0.563863  1
  Fe  Fe130  1  0.379628  0.771383  0.508201  1
  Fe  Fe131  1  0.629316  0.121292  0.591556  1
  Fe  Fe132  1  0.629486  0.721356  0.536003  1
  Fe  Fe133  1  0.129607  0.071303  0.549845  1
  Fe  Fe134  1  0.128846  0.471100  0.605198  1
  Fe  Fe135  1  0.880594  0.021695  0.577813  1
  Fe  Fe136  1  0.879773  0.621461  0.522128  1
  Fe  Fe137  1  0.879762  0.370408  0.591644  1
  Fe  Fe138  1  0.879438  0.971294  0.536063  1
  Fe  Fe139  1  0.129660  0.521405  0.508222  1
  Fe  Fe140  1  0.129852  0.921334  0.563842  1
  Fe  Fe141  1  0.629357  0.271226  0.577746  1
  Fe  Fe142  1  0.629564  0.871368  0.522113  1
  Fe  Fe143  1  0.380637  0.221142  0.605706  1
  Fe  Fe144  1  0.379378  0.821298  0.549894  1
  Fe  Fe145  1  0.879628  0.271383  0.508201  1
  Fe  Fe146  1  0.879013  0.671486  0.563863  1
  Fe  Fe147  1  0.129486  0.221356  0.536003  1
  Fe  Fe148  1  0.129316  0.621292  0.591556  1
  Fe  Fe149  1  0.628846  0.971100  0.605198  1
  Fe  Fe150  1  0.629607  0.571303  0.549845  1
  Fe  Fe151  1  0.379773  0.121461  0.522128  1
  Fe  Fe152  1  0.380594  0.521695  0.577813  1
  Fe  Fe153  1  0.379438  0.471294  0.536063  1
  Fe  Fe154  1  0.379762  0.870408  0.591644  1
  Fe  Fe155  1  0.629852  0.421334  0.563842  1
  Fe  Fe156  1  0.629660  0.021405  0.508222  1
  Fe  Fe157  1  0.129564  0.371368  0.522113  1
  Fe  Fe158  1  0.129357  0.771226  0.577746  1
  Fe  Fe159  1  0.879378  0.321298  0.549894  1
  Fe  Fe160  1  0.880637  0.721142  0.605706  1
  Fe  Fe161  1  0.380045  0.971652  0.674874  1
  Fe  Fe162  1  0.375101  0.571270  0.619760  1
  Fe  Fe163  1  0.622884  0.924743  0.705714  1
  Fe  Fe164  1  0.630841  0.521387  0.646100  1
  Fe  Fe165  1  0.126881  0.869524  0.659540  1
  Fe  Fe166  1  0.111087  0.267354  0.716221  1
  Fe  Fe167  1  0.872317  0.822551  0.690113  1
  Fe  Fe168  1  0.880743  0.421188  0.633112  1
  Fe  Fe169  1  0.921431  0.142726  0.707260  1
  Fe  Fe170  1  0.881185  0.768553  0.647864  1
  Fe  Fe171  1  0.132118  0.321435  0.619527  1
  Fe  Fe172  1  0.143229  0.722569  0.676816  1
  Fe  Fe173  1  0.614631  0.072817  0.689631  1
  Fe  Fe174  1  0.625636  0.671627  0.632833  1
  Fe  Fe175  1  0.297530  0.033346  0.716079  1
  Fe  Fe176  1  0.378792  0.621709  0.661957  1
  Fe  Fe177  1  0.875101  0.071270  0.619760  1
  Fe  Fe178  1  0.880045  0.471652  0.674874  1
  Fe  Fe179  1  0.130841  0.021387  0.646100  1
  Fe  Fe180  1  0.122884  0.424743  0.705714  1
  Fe  Fe181  1  0.611087  0.767354  0.716221  1
  Fe  Fe182  1  0.626881  0.369524  0.659540  1
  Fe  Fe183  1  0.380743  0.921188  0.633112  1
  Fe  Fe184  1  0.372317  0.322551  0.690113  1
  Fe  Fe185  1  0.381185  0.268553  0.647864  1
  Fe  Fe186  1  0.421431  0.642726  0.707260  1
  Fe  Fe187  1  0.643229  0.222569  0.676816  1
  Fe  Fe188  1  0.632118  0.821435  0.619527  1
  Fe  Fe189  1  0.125636  0.171627  0.632833  1
  Fe  Fe190  1  0.114631  0.572817  0.689631  1
  Fe  Fe191  1  0.878792  0.121709  0.661957  1
  Fe  Fe192  1  0.797530  0.533346  0.716079  1
