# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.24354732
_cell_length_b   9.24882638
_cell_length_c   46.63852389
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   47.17343728
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al72 Fe144'
_cell_volume   5455.16262125
_cell_formula_units_Z   72
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  0.857575  0.015675  0.302498  1
  Al  Al2  1  0.577848  0.661599  0.279048  1
  Al  Al3  1  0.857575  0.515675  0.302498  1
  Al  Al4  1  0.220911  0.597722  0.290873  1
  Al  Al5  1  0.577848  0.161599  0.279048  1
  Al  Al6  1  0.220911  0.097722  0.290873  1
  Al  Al7  1  0.762649  0.281007  0.341090  1
  Al  Al8  1  0.493435  0.946082  0.314991  1
  Al  Al9  1  0.762649  0.781007  0.341090  1
  Al  Al10  1  0.126848  0.863550  0.329097  1
  Al  Al11  1  0.493435  0.446082  0.314991  1
  Al  Al12  1  0.126848  0.363550  0.329097  1
  Al  Al13  1  0.663685  0.550670  0.378333  1
  Al  Al14  1  0.395685  0.207582  0.353323  1
  Al  Al15  1  0.663685  0.050670  0.378333  1
  Al  Al16  1  0.029131  0.129130  0.366547  1
  Al  Al17  1  0.395685  0.707582  0.353323  1
  Al  Al18  1  0.029131  0.629130  0.366547  1
  Al  Al19  1  0.566485  0.817220  0.415511  1
  Al  Al20  1  0.298073  0.473857  0.390563  1
  Al  Al21  1  0.566485  0.317220  0.415511  1
  Al  Al22  1  0.931982  0.395929  0.403345  1
  Al  Al23  1  0.298073  0.973857  0.390563  1
  Al  Al24  1  0.931982  0.895929  0.403345  1
  Al  Al25  1  0.469098  0.083919  0.452462  1
  Al  Al26  1  0.200698  0.739578  0.427828  1
  Al  Al27  1  0.469098  0.583919  0.452462  1
  Al  Al28  1  0.834666  0.661891  0.440309  1
  Al  Al29  1  0.200698  0.239578  0.427828  1
  Al  Al30  1  0.834666  0.161891  0.440309  1
  Al  Al31  1  0.371810  0.349717  0.489589  1
  Al  Al32  1  0.103254  1.005408  0.465037  1
  Al  Al33  1  0.371810  0.849717  0.489589  1
  Al  Al34  1  0.737468  0.927568  0.477370  1
  Al  Al35  1  0.103254  0.505408  0.465037  1
  Al  Al36  1  0.737468  0.427568  0.477370  1
  Al  Al37  1  0.274428  0.615657  0.526730  1
  Al  Al38  1  0.005872  0.271348  0.502178  1
  Al  Al39  1  0.274428  0.115657  0.526730  1
  Al  Al40  1  0.640214  0.193497  0.514397  1
  Al  Al41  1  0.005872  0.771348  0.502178  1
  Al  Al42  1  0.640214  0.693497  0.514397  1
  Al  Al43  1  0.176984  0.881488  0.563939  1
  Al  Al44  1  0.908584  0.537147  0.539305  1
  Al  Al45  1  0.176984  0.381488  0.563939  1
  Al  Al46  1  0.543016  0.459175  0.551458  1
  Al  Al47  1  0.908584  0.037147  0.539305  1
  Al  Al48  1  0.543016  0.959175  0.551458  1
  Al  Al49  1  0.079609  0.147209  0.601204  1
  Al  Al50  1  0.811197  0.803845  0.576256  1
  Al  Al51  1  0.079609  0.647209  0.601204  1
  Al  Al52  1  0.445700  0.725136  0.588422  1
  Al  Al53  1  0.811197  0.303845  0.576256  1
  Al  Al54  1  0.445700  0.225136  0.588422  1
  Al  Al55  1  0.981997  0.413484  0.638444  1
  Al  Al56  1  0.713997  0.070396  0.613434  1
  Al  Al57  1  0.981997  0.913484  0.638444  1
  Al  Al58  1  0.348551  0.991935  0.625220  1
  Al  Al59  1  0.713997  0.570396  0.613434  1
  Al  Al60  1  0.348551  0.491935  0.625220  1
  Al  Al61  1  0.884247  0.674984  0.676776  1
  Al  Al62  1  0.615033  0.340059  0.650677  1
  Al  Al63  1  0.884247  0.174984  0.676776  1
  Al  Al64  1  0.250834  0.257515  0.662670  1
  Al  Al65  1  0.615033  0.840059  0.650677  1
  Al  Al66  1  0.250834  0.757515  0.662670  1
  Al  Al67  1  0.799834  0.959467  0.712719  1
  Al  Al68  1  0.520108  0.605391  0.689269  1
  Al  Al69  1  0.799834  0.459467  0.712719  1
  Al  Al70  1  0.156771  0.523344  0.700894  1
  Al  Al71  1  0.520108  0.105391  0.689269  1
  Al  Al72  1  0.156771  0.023344  0.700894  1
  Fe  Fe73  1  0.028632  0.384187  0.277343  1
  Fe  Fe74  1  0.664120  0.304436  0.288761  1
  Fe  Fe75  1  0.028632  0.884187  0.277343  1
  Fe  Fe76  1  0.302752  0.234812  0.301475  1
  Fe  Fe77  1  0.664120  0.804436  0.288761  1
  Fe  Fe78  1  0.302752  0.734812  0.301475  1
  Fe  Fe79  1  0.121794  0.494549  0.282368  1
  Fe  Fe80  1  0.765694  0.398961  0.294351  1
  Fe  Fe81  1  0.121794  0.994549  0.282368  1
  Fe  Fe82  1  0.405968  0.321260  0.306595  1
  Fe  Fe83  1  0.765694  0.898961  0.294351  1
  Fe  Fe84  1  0.405968  0.821260  0.306595  1
  Fe  Fe85  1  0.941291  0.650750  0.313907  1
  Fe  Fe86  1  0.578173  0.568907  0.328008  1
  Fe  Fe87  1  0.941291  0.150750  0.313907  1
  Fe  Fe88  1  0.211394  0.492512  0.338769  1
  Fe  Fe89  1  0.578173  0.068907  0.328008  1
  Fe  Fe90  1  0.211394  0.992512  0.338769  1
  Fe  Fe91  1  0.040441  0.740368  0.320845  1
  Fe  Fe92  1  0.675303  0.659238  0.331712  1
  Fe  Fe93  1  0.040441  0.240368  0.320845  1
  Fe  Fe94  1  0.309941  0.582320  0.343610  1
  Fe  Fe95  1  0.675303  0.159238  0.331712  1
  Fe  Fe96  1  0.309941  0.082320  0.343610  1
  Fe  Fe97  1  0.845291  0.913867  0.350878  1
  Fe  Fe98  1  0.479303  0.838172  0.363094  1
  Fe  Fe99  1  0.845291  0.413867  0.350878  1
  Fe  Fe100  1  0.114173  0.757573  0.376249  1
  Fe  Fe101  1  0.479303  0.338172  0.363094  1
  Fe  Fe102  1  0.114173  0.257573  0.376249  1
  Fe  Fe103  1  0.944185  1.003792  0.356505  1
  Fe  Fe104  1  0.578795  0.923551  0.368733  1
  Fe  Fe105  1  0.944185  0.503792  0.356505  1
  Fe  Fe106  1  0.213146  0.846634  0.380782  1
  Fe  Fe107  1  0.578795  0.423551  0.368733  1
  Fe  Fe108  1  0.213146  0.346634  0.380782  1
  Fe  Fe109  1  0.748538  0.178745  0.388369  1
  Fe  Fe110  1  0.382753  0.101752  0.400564  1
  Fe  Fe111  1  0.748538  0.678745  0.388369  1
  Fe  Fe112  1  0.016644  0.023432  0.413401  1
  Fe  Fe113  1  0.382753  0.601752  0.400564  1
  Fe  Fe114  1  0.016644  0.523432  0.413401  1
  Fe  Fe115  1  0.847155  0.268820  0.393231  1
  Fe  Fe116  1  0.481567  0.190885  0.405342  1
  Fe  Fe117  1  0.847155  0.768820  0.393231  1
  Fe  Fe118  1  0.115792  0.111936  0.418013  1
  Fe  Fe119  1  0.481567  0.690885  0.405342  1
  Fe  Fe120  1  0.115792  0.611936  0.418013  1
  Fe  Fe121  1  0.650976  0.445397  0.425458  1
  Fe  Fe122  1  0.285437  0.367479  0.437724  1
  Fe  Fe123  1  0.650976  0.945397  0.425458  1
  Fe  Fe124  1  0.919391  0.289378  0.450358  1
  Fe  Fe125  1  0.285437  0.867479  0.437724  1
  Fe  Fe126  1  0.919391  0.789378  0.450358  1
  Fe  Fe127  1  0.750080  0.533940  0.430321  1
  Fe  Fe128  1  0.384401  0.456218  0.442516  1
  Fe  Fe129  1  0.750080  0.033940  0.430321  1
  Fe  Fe130  1  0.018444  0.377765  0.455146  1
  Fe  Fe131  1  0.384401  0.956218  0.442516  1
  Fe  Fe132  1  0.018444  0.877765  0.455146  1
  Fe  Fe133  1  0.553760  0.711373  0.462532  1
  Fe  Fe134  1  0.188067  0.633186  0.474925  1
  Fe  Fe135  1  0.553760  0.211373  0.462532  1
  Fe  Fe136  1  0.822133  0.555280  0.487365  1
  Fe  Fe137  1  0.188067  0.133186  0.474925  1
  Fe  Fe138  1  0.822133  0.055280  0.487365  1
  Fe  Fe139  1  0.652761  0.799959  0.467349  1
  Fe  Fe140  1  0.287019  0.722067  0.479657  1
  Fe  Fe141  1  0.652761  0.299959  0.467349  1
  Fe  Fe142  1  0.921181  0.643656  0.492219  1
  Fe  Fe143  1  0.287019  0.222067  0.479657  1
  Fe  Fe144  1  0.921181  0.143656  0.492219  1
  Fe  Fe145  1  0.456501  0.977410  0.499548  1
  Fe  Fe146  1  0.090663  0.898999  0.512110  1
  Fe  Fe147  1  0.456501  0.477410  0.499548  1
  Fe  Fe148  1  0.724921  0.821106  0.524418  1
  Fe  Fe149  1  0.090663  0.398999  0.512110  1
  Fe  Fe150  1  0.724921  0.321106  0.524418  1
  Fe  Fe151  1  0.555549  0.065785  0.504402  1
  Fe  Fe152  1  0.189615  0.987880  0.516842  1
  Fe  Fe153  1  0.555549  0.565785  0.504402  1
  Fe  Fe154  1  0.823922  0.909692  0.529235  1
  Fe  Fe155  1  0.189615  0.487880  0.516842  1
  Fe  Fe156  1  0.823922  0.409692  0.529235  1
  Fe  Fe157  1  0.359239  0.243300  0.536621  1
  Fe  Fe158  1  0.993282  0.164848  0.549251  1
  Fe  Fe159  1  0.359239  0.743300  0.536621  1
  Fe  Fe160  1  0.627602  0.087125  0.561446  1
  Fe  Fe161  1  0.993282  0.664848  0.549251  1
  Fe  Fe162  1  0.627602  0.587125  0.561446  1
  Fe  Fe163  1  0.458291  0.331688  0.541409  1
  Fe  Fe164  1  0.092245  0.253586  0.554043  1
  Fe  Fe165  1  0.458291  0.831688  0.541409  1
  Fe  Fe166  1  0.726706  0.175668  0.566309  1
  Fe  Fe167  1  0.092245  0.753586  0.554043  1
  Fe  Fe168  1  0.726706  0.675668  0.566309  1
  Fe  Fe169  1  0.261890  0.509129  0.573754  1
  Fe  Fe170  1  0.896115  0.430181  0.586425  1
  Fe  Fe171  1  0.261890  0.009129  0.573754  1
  Fe  Fe172  1  0.530527  0.352246  0.598536  1
  Fe  Fe173  1  0.896115  0.930181  0.586425  1
  Fe  Fe174  1  0.530527  0.852246  0.598536  1
  Fe  Fe175  1  0.361038  0.597634  0.578366  1
  Fe  Fe176  1  0.994929  0.519313  0.591203  1
  Fe  Fe177  1  0.361038  0.097634  0.578366  1
  Fe  Fe178  1  0.629144  0.442321  0.603398  1
  Fe  Fe179  1  0.994929  0.019313  0.591203  1
  Fe  Fe180  1  0.629144  0.942321  0.603398  1
  Fe  Fe181  1  0.164536  0.774432  0.610985  1
  Fe  Fe182  1  0.798887  0.697515  0.623034  1
  Fe  Fe183  1  0.164536  0.274432  0.610985  1
  Fe  Fe184  1  0.433497  0.617274  0.635262  1
  Fe  Fe185  1  0.798887  0.197515  0.623034  1
  Fe  Fe186  1  0.433497  0.117274  0.635262  1
  Fe  Fe187  1  0.263509  0.863492  0.615518  1
  Fe  Fe188  1  0.898379  0.782894  0.628673  1
  Fe  Fe189  1  0.263509  0.363492  0.615518  1
  Fe  Fe190  1  0.532391  0.707199  0.640889  1
  Fe  Fe191  1  0.898379  0.282894  0.628673  1
  Fe  Fe192  1  0.532391  0.207199  0.640889  1
  Fe  Fe193  1  0.067741  0.038745  0.648157  1
  Fe  Fe194  1  0.702379  0.961828  0.660055  1
  Fe  Fe195  1  0.067741  0.538745  0.648157  1
  Fe  Fe196  1  0.337241  0.880698  0.670922  1
  Fe  Fe197  1  0.702379  0.461828  0.660055  1
  Fe  Fe198  1  0.337241  0.380698  0.670922  1
  Fe  Fe199  1  0.166288  0.128554  0.652998  1
  Fe  Fe200  1  0.799509  0.052158  0.663759  1
  Fe  Fe201  1  0.166288  0.628554  0.652998  1
  Fe  Fe202  1  0.436391  0.970315  0.677860  1
  Fe  Fe203  1  0.799509  0.552158  0.663759  1
  Fe  Fe204  1  0.436391  0.470315  0.677860  1
  Fe  Fe205  1  0.971714  0.299806  0.685172  1
  Fe  Fe206  1  0.611988  0.222104  0.697416  1
  Fe  Fe207  1  0.971714  0.799806  0.685172  1
  Fe  Fe208  1  0.255888  0.126517  0.709399  1
  Fe  Fe209  1  0.611988  0.722104  0.697416  1
  Fe  Fe210  1  0.255888  0.626517  0.709399  1
  Fe  Fe211  1  0.074931  0.386254  0.690292  1
  Fe  Fe212  1  0.713562  0.316630  0.703006  1
  Fe  Fe213  1  0.074931  0.886254  0.690292  1
  Fe  Fe214  1  0.349050  0.236878  0.714424  1
  Fe  Fe215  1  0.713562  0.816630  0.703006  1
  Fe  Fe216  1  0.349050  0.736878  0.714424  1
