# generated using pymatgen
data_AlFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47596897
_cell_length_b   17.71691655
_cell_length_c   49.29457731
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe3
_chemical_formula_sum   'Al48 Fe144'
_cell_volume   4782.42607369
_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  0.013849  0.204809  0.325904  1
  Al  Al2  1  0.013849  0.905635  0.285441  1
  Al  Al3  1  0.013849  0.505093  0.361783  1
  Al  Al4  1  0.513849  0.352311  0.341475  1
  Al  Al5  1  0.513849  0.057026  0.309488  1
  Al  Al6  1  0.513849  0.768211  0.270983  1
  Al  Al7  1  0.513849  0.154832  0.381517  1
  Al  Al8  1  0.513849  0.856481  0.345829  1
  Al  Al9  1  0.513849  0.558643  0.309359  1
  Al  Al10  1  0.013849  0.410187  0.288047  1
  Al  Al11  1  0.013849  0.002975  0.361464  1
  Al  Al12  1  0.013849  0.705566  0.324594  1
  Al  Al13  1  0.013849  0.101150  0.435798  1
  Al  Al14  1  0.013849  0.802782  0.399013  1
  Al  Al15  1  0.013849  0.398642  0.472616  1
  Al  Al16  1  0.513849  0.249851  0.455787  1
  Al  Al17  1  0.513849  0.952446  0.419237  1
  Al  Al18  1  0.513849  0.653680  0.382544  1
  Al  Al19  1  0.513849  0.048409  0.493036  1
  Al  Al20  1  0.513849  0.750501  0.456055  1
  Al  Al21  1  0.513849  0.449038  0.416300  1
  Al  Al22  1  0.013849  0.302481  0.399131  1
  Al  Al23  1  0.013849  0.899597  0.473276  1
  Al  Al24  1  0.013849  0.600722  0.436175  1
  Al  Al25  1  0.013849  0.996032  0.546941  1
  Al  Al26  1  0.013849  0.697450  0.510085  1
  Al  Al27  1  0.013849  0.293706  0.583768  1
  Al  Al28  1  0.513849  0.144716  0.567467  1
  Al  Al29  1  0.513849  0.846672  0.530344  1
  Al  Al30  1  0.513849  0.545474  0.490834  1
  Al  Al31  1  0.513849  0.944425  0.604571  1
  Al  Al32  1  0.513849  0.641354  0.564452  1
  Al  Al33  1  0.513849  0.346233  0.529893  1
  Al  Al34  1  0.013849  0.197465  0.510085  1
  Al  Al35  1  0.013849  0.794157  0.584346  1
  Al  Al36  1  0.013849  0.494540  0.546607  1
  Al  Al37  1  0.013849  0.889486  0.658226  1
  Al  Al38  1  0.013849  0.590843  0.620115  1
  Al  Al39  1  0.013849  0.180561  0.695110  1
  Al  Al40  1  0.513849  0.042562  0.680839  1
  Al  Al41  1  0.513849  0.738322  0.637529  1
  Al  Al42  1  0.513849  0.442972  0.604905  1
  Al  Al43  1  0.513849  0.822329  0.712526  1
  Al  Al44  1  0.513849  0.542509  0.680101  1
  Al  Al45  1  0.513849  0.242901  0.641768  1
  Al  Al46  1  0.013849  0.089962  0.620890  1
  Al  Al47  1  0.013849  0.682511  0.696703  1
  Al  Al48  1  0.013849  0.389900  0.656722  1
  Fe  Fe49  1  0.513849  0.203843  0.326077  1
  Fe  Fe50  1  0.513849  0.908903  0.286535  1
  Fe  Fe51  1  0.513849  0.504613  0.362109  1
  Fe  Fe52  1  0.264382  0.157887  0.287430  1
  Fe  Fe53  1  0.265005  0.752620  0.362367  1
  Fe  Fe54  1  0.264159  0.455378  0.325191  1
  Fe  Fe55  1  0.262222  0.105875  0.345109  1
  Fe  Fe56  1  0.263398  0.809570  0.308974  1
  Fe  Fe57  1  0.262913  0.519226  0.270211  1
  Fe  Fe58  1  0.013849  0.352263  0.341075  1
  Fe  Fe59  1  0.013849  0.057369  0.308837  1
  Fe  Fe60  1  0.013849  0.764790  0.271244  1
  Fe  Fe61  1  0.759034  0.301637  0.303638  1
  Fe  Fe62  1  0.764371  0.017630  0.270238  1
  Fe  Fe63  1  0.763312  0.608252  0.345101  1
  Fe  Fe64  1  0.764484  0.254913  0.362104  1
  Fe  Fe65  1  0.766864  0.952848  0.324382  1
  Fe  Fe66  1  0.765195  0.656791  0.286809  1
  Fe  Fe67  1  0.013849  0.154643  0.381746  1
  Fe  Fe68  1  0.013849  0.855316  0.345868  1
  Fe  Fe69  1  0.013849  0.558045  0.309116  1
  Fe  Fe70  1  0.765477  0.105875  0.345109  1
  Fe  Fe71  1  0.764301  0.809570  0.308974  1
  Fe  Fe72  1  0.764785  0.519226  0.270211  1
  Fe  Fe73  1  0.763316  0.157887  0.287430  1
  Fe  Fe74  1  0.762693  0.752620  0.362367  1
  Fe  Fe75  1  0.763540  0.455378  0.325191  1
  Fe  Fe76  1  0.513849  0.412009  0.287864  1
  Fe  Fe77  1  0.513849  0.003284  0.361539  1
  Fe  Fe78  1  0.513849  0.706103  0.324289  1
  Fe  Fe79  1  0.263215  0.254913  0.362104  1
  Fe  Fe80  1  0.260835  0.952848  0.324382  1
  Fe  Fe81  1  0.262503  0.656791  0.286809  1
  Fe  Fe82  1  0.268665  0.301637  0.303638  1
  Fe  Fe83  1  0.263328  0.017630  0.270238  1
  Fe  Fe84  1  0.264386  0.608252  0.345101  1
  Fe  Fe85  1  0.513849  0.101040  0.436021  1
  Fe  Fe86  1  0.513849  0.802903  0.399306  1
  Fe  Fe87  1  0.513849  0.398395  0.472819  1
  Fe  Fe88  1  0.264150  0.051648  0.399017  1
  Fe  Fe89  1  0.264319  0.648007  0.473323  1
  Fe  Fe90  1  0.264697  0.349651  0.436005  1
  Fe  Fe91  1  0.263313  1.001860  0.455696  1
  Fe  Fe92  1  0.263328  0.703405  0.418852  1
  Fe  Fe93  1  0.262716  0.401534  0.379003  1
  Fe  Fe94  1  0.013849  0.249960  0.455526  1
  Fe  Fe95  1  0.013849  0.952437  0.419037  1
  Fe  Fe96  1  0.013849  0.653932  0.382254  1
  Fe  Fe97  1  0.762847  0.202975  0.418389  1
  Fe  Fe98  1  0.763632  0.905448  0.382044  1
  Fe  Fe99  1  0.762836  0.498360  0.453598  1
  Fe  Fe100  1  0.764570  0.147864  0.473360  1
  Fe  Fe101  1  0.764592  0.850039  0.436550  1
  Fe  Fe102  1  0.764937  0.551299  0.399275  1
  Fe  Fe103  1  0.013849  0.048241  0.493099  1
  Fe  Fe104  1  0.013849  0.750294  0.456100  1
  Fe  Fe105  1  0.013849  0.449124  0.416630  1
  Fe  Fe106  1  0.764386  1.001860  0.455696  1
  Fe  Fe107  1  0.764370  0.703405  0.418852  1
  Fe  Fe108  1  0.764982  0.401534  0.379003  1
  Fe  Fe109  1  0.763548  0.051648  0.399017  1
  Fe  Fe110  1  0.763379  0.648007  0.473323  1
  Fe  Fe111  1  0.763001  0.349651  0.436005  1
  Fe  Fe112  1  0.513849  0.302672  0.398881  1
  Fe  Fe113  1  0.513849  0.899763  0.473212  1
  Fe  Fe114  1  0.513849  0.600775  0.436058  1
  Fe  Fe115  1  0.263129  0.147864  0.473360  1
  Fe  Fe116  1  0.263106  0.850039  0.436550  1
  Fe  Fe117  1  0.262761  0.551299  0.399275  1
  Fe  Fe118  1  0.264851  0.202975  0.418389  1
  Fe  Fe119  1  0.264066  0.905448  0.382044  1
  Fe  Fe120  1  0.264863  0.498360  0.453598  1
  Fe  Fe121  1  0.513849  0.995942  0.547235  1
  Fe  Fe122  1  0.513849  0.697211  0.510257  1
  Fe  Fe123  1  0.513849  0.293405  0.584093  1
  Fe  Fe124  1  0.264499  0.946174  0.510579  1
  Fe  Fe125  1  0.265026  0.540980  0.583830  1
  Fe  Fe126  1  0.264510  0.243931  0.547432  1
  Fe  Fe127  1  0.263299  0.896735  0.567011  1
  Fe  Fe128  1  0.263080  0.594781  0.527586  1
  Fe  Fe129  1  0.263286  0.299357  0.492429  1
  Fe  Fe130  1  0.013849  0.144689  0.567108  1
  Fe  Fe131  1  0.013849  0.846801  0.530088  1
  Fe  Fe132  1  0.013849  0.545774  0.490712  1
  Fe  Fe133  1  0.762854  0.098248  0.529732  1
  Fe  Fe134  1  0.763153  0.799841  0.492778  1
  Fe  Fe135  1  0.762455  0.396167  0.566805  1
  Fe  Fe136  1  0.764777  0.042148  0.584373  1
  Fe  Fe137  1  0.764779  0.744370  0.547413  1
  Fe  Fe138  1  0.764552  0.445312  0.509896  1
  Fe  Fe139  1  0.013849  0.943924  0.604845  1
  Fe  Fe140  1  0.013849  0.641294  0.564671  1
  Fe  Fe141  1  0.013849  0.346061  0.529976  1
  Fe  Fe142  1  0.764400  0.896735  0.567011  1
  Fe  Fe143  1  0.764618  0.594781  0.527586  1
  Fe  Fe144  1  0.764413  0.299357  0.492429  1
  Fe  Fe145  1  0.763200  0.946174  0.510579  1
  Fe  Fe146  1  0.762672  0.540980  0.583830  1
  Fe  Fe147  1  0.763189  0.243931  0.547432  1
  Fe  Fe148  1  0.513849  0.197712  0.510001  1
  Fe  Fe149  1  0.513849  0.794058  0.584123  1
  Fe  Fe150  1  0.513849  0.494747  0.546399  1
  Fe  Fe151  1  0.262921  0.042148  0.584373  1
  Fe  Fe152  1  0.262919  0.744370  0.547413  1
  Fe  Fe153  1  0.263146  0.445312  0.509896  1
  Fe  Fe154  1  0.264845  0.098248  0.529732  1
  Fe  Fe155  1  0.264546  0.799841  0.492778  1
  Fe  Fe156  1  0.265244  0.396167  0.566805  1
  Fe  Fe157  1  0.513849  0.888408  0.659149  1
  Fe  Fe158  1  0.513849  0.591305  0.620395  1
  Fe  Fe159  1  0.513849  0.183818  0.694996  1
  Fe  Fe160  1  0.265401  0.841915  0.621356  1
  Fe  Fe161  1  0.263827  0.431120  0.695828  1
  Fe  Fe162  1  0.265277  0.138760  0.657268  1
  Fe  Fe163  1  0.260554  0.783920  0.674311  1
  Fe  Fe164  1  0.264571  0.494353  0.641639  1
  Fe  Fe165  1  0.262228  0.194560  0.604153  1
  Fe  Fe166  1  0.013849  0.040048  0.679344  1
  Fe  Fe167  1  0.013849  0.738743  0.637314  1
  Fe  Fe168  1  0.013849  0.443077  0.604438  1
  Fe  Fe169  1  0.759438  0.992888  0.642111  1
  Fe  Fe170  1  0.763545  0.690800  0.601001  1
  Fe  Fe171  1  0.762349  0.292144  0.679522  1
  Fe  Fe172  1  0.766631  0.933118  0.696823  1
  Fe  Fe173  1  0.766009  0.639464  0.657224  1
  Fe  Fe174  1  0.764325  0.339700  0.621153  1
  Fe  Fe175  1  0.013849  0.824178  0.712642  1
  Fe  Fe176  1  0.013849  0.540404  0.679662  1
  Fe  Fe177  1  0.013849  0.242202  0.642131  1
  Fe  Fe178  1  0.767145  0.783920  0.674311  1
  Fe  Fe179  1  0.763127  0.494353  0.641639  1
  Fe  Fe180  1  0.765471  0.194560  0.604153  1
  Fe  Fe181  1  0.762297  0.841915  0.621356  1
  Fe  Fe182  1  0.763872  0.431120  0.695828  1
  Fe  Fe183  1  0.762422  0.138760  0.657268  1
  Fe  Fe184  1  0.513849  0.091377  0.620637  1
  Fe  Fe185  1  0.513849  0.683829  0.695468  1
  Fe  Fe186  1  0.513849  0.390587  0.657140  1
  Fe  Fe187  1  0.261068  0.933118  0.696823  1
  Fe  Fe188  1  0.261689  0.639464  0.657224  1
  Fe  Fe189  1  0.263373  0.339700  0.621153  1
  Fe  Fe190  1  0.268260  0.992888  0.642111  1
  Fe  Fe191  1  0.264154  0.690800  0.601001  1
  Fe  Fe192  1  0.265350  0.292144  0.679522  1
