# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.69813760
_cell_length_b   10.82178212
_cell_length_c   46.81548097
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   50.94507116
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al72 Fe144'
_cell_volume   5389.08343415
_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  0.944500  0.611586  0.296923  1
  Al  Al2  1  0.444500  0.611586  0.296923  1
  Al  Al3  1  0.018089  0.976862  0.285205  1
  Al  Al4  1  0.518089  0.976862  0.285205  1
  Al  Al5  1  0.812040  0.879651  0.323315  1
  Al  Al6  1  0.312040  0.879651  0.323315  1
  Al  Al7  1  0.871288  0.250876  0.309975  1
  Al  Al8  1  0.371288  0.250876  0.309975  1
  Al  Al9  1  0.674783  0.147422  0.348201  1
  Al  Al10  1  0.174783  0.147422  0.348201  1
  Al  Al11  1  0.741669  0.516895  0.336351  1
  Al  Al12  1  0.241669  0.516895  0.336351  1
  Al  Al13  1  0.546467  0.404625  0.377135  1
  Al  Al14  1  0.046467  0.404625  0.377135  1
  Al  Al15  1  0.617133  0.775276  0.364847  1
  Al  Al16  1  0.117133  0.775276  0.364847  1
  Al  Al17  1  0.395417  0.676801  0.399776  1
  Al  Al18  1  0.895417  0.676801  0.399776  1
  Al  Al19  1  0.471297  0.043790  0.387406  1
  Al  Al20  1  0.971297  0.043790  0.387406  1
  Al  Al21  1  0.272167  0.942700  0.424718  1
  Al  Al22  1  0.772167  0.942700  0.424718  1
  Al  Al23  1  0.328250  0.309821  0.411887  1
  Al  Al24  1  0.828250  0.309821  0.411887  1
  Al  Al25  1  0.146571  0.211173  0.447802  1
  Al  Al26  1  0.646571  0.211173  0.447802  1
  Al  Al27  1  0.208155  0.580406  0.435243  1
  Al  Al28  1  0.708155  0.580406  0.435243  1
  Al  Al29  1  0.014409  0.469262  0.475737  1
  Al  Al30  1  0.514409  0.469262  0.475737  1
  Al  Al31  1  0.078545  0.839144  0.462989  1
  Al  Al32  1  0.578545  0.839144  0.462989  1
  Al  Al33  1  0.881986  0.733309  0.501081  1
  Al  Al34  1  0.381986  0.733309  0.501081  1
  Al  Al35  1  0.947628  0.101975  0.488692  1
  Al  Al36  1  0.447628  0.101975  0.488692  1
  Al  Al37  1  0.751565  0.995909  0.526065  1
  Al  Al38  1  0.251565  0.995909  0.526065  1
  Al  Al39  1  0.816233  0.365234  0.513785  1
  Al  Al40  1  0.316233  0.365234  0.513785  1
  Al  Al41  1  0.621840  0.257211  0.551269  1
  Al  Al42  1  0.121840  0.257211  0.551269  1
  Al  Al43  1  0.686208  0.626648  0.538917  1
  Al  Al44  1  0.186208  0.626648  0.538917  1
  Al  Al45  1  0.491263  0.519297  0.576061  1
  Al  Al46  1  0.991263  0.519297  0.576061  1
  Al  Al47  1  0.556650  0.888337  0.563658  1
  Al  Al48  1  0.056650  0.888337  0.563658  1
  Al  Al49  1  0.361455  0.780297  0.601355  1
  Al  Al50  1  0.861455  0.780297  0.601355  1
  Al  Al51  1  0.426758  0.150286  0.588428  1
  Al  Al52  1  0.926758  0.150286  0.588428  1
  Al  Al53  1  0.231789  0.042323  0.626265  1
  Al  Al54  1  0.731789  0.042323  0.626265  1
  Al  Al55  1  0.296185  0.411736  0.613766  1
  Al  Al56  1  0.796185  0.411736  0.613766  1
  Al  Al57  1  0.099409  0.305428  0.651318  1
  Al  Al58  1  0.599409  0.305428  0.651318  1
  Al  Al59  1  0.164613  0.673808  0.639306  1
  Al  Al60  1  0.664613  0.673808  0.639306  1
  Al  Al61  1  0.965680  0.563386  0.678196  1
  Al  Al62  1  0.465680  0.563386  0.678196  1
  Al  Al63  1  0.035525  0.937536  0.663637  1
  Al  Al64  1  0.535525  0.937536  0.663637  1
  Al  Al65  1  0.841025  0.834122  0.701659  1
  Al  Al66  1  0.341025  0.834122  0.701659  1
  Al  Al67  1  0.903181  0.197824  0.690539  1
  Al  Al68  1  0.403181  0.197824  0.690539  1
  Al  Al69  1  0.726090  0.104895  0.726516  1
  Al  Al70  1  0.226090  0.104895  0.726516  1
  Al  Al71  1  0.788243  0.471326  0.714352  1
  Al  Al72  1  0.288243  0.471326  0.714352  1
  Fe  Fe73  1  0.231215  0.897972  0.276023  1
  Fe  Fe74  1  0.731215  0.897972  0.276023  1
  Fe  Fe75  1  0.156060  0.539598  0.288449  1
  Fe  Fe76  1  0.656060  0.539598  0.288449  1
  Fe  Fe77  1  0.439460  0.821742  0.271580  1
  Fe  Fe78  1  0.939460  0.821742  0.271580  1
  Fe  Fe79  1  0.366760  0.456667  0.283091  1
  Fe  Fe80  1  0.866760  0.456667  0.283091  1
  Fe  Fe81  1  0.085166  0.163038  0.300167  1
  Fe  Fe82  1  0.585166  0.163038  0.300167  1
  Fe  Fe83  1  0.027315  0.786630  0.317536  1
  Fe  Fe84  1  0.527315  0.786630  0.317536  1
  Fe  Fe85  1  0.293085  0.088436  0.294467  1
  Fe  Fe86  1  0.793085  0.088436  0.294467  1
  Fe  Fe87  1  0.224325  0.721580  0.306580  1
  Fe  Fe88  1  0.724325  0.721580  0.306580  1
  Fe  Fe89  1  0.959149  0.414595  0.328948  1
  Fe  Fe90  1  0.459149  0.414595  0.328948  1
  Fe  Fe91  1  0.892821  0.045880  0.339566  1
  Fe  Fe92  1  0.392821  0.045880  0.339566  1
  Fe  Fe93  1  0.153999  0.353316  0.317827  1
  Fe  Fe94  1  0.653999  0.353316  0.317827  1
  Fe  Fe95  1  0.092976  0.981957  0.332265  1
  Fe  Fe96  1  0.592976  0.981957  0.332265  1
  Fe  Fe97  1  0.829276  0.673330  0.350495  1
  Fe  Fe98  1  0.329276  0.673330  0.350495  1
  Fe  Fe99  1  0.761078  0.304409  0.361990  1
  Fe  Fe100  1  0.261078  0.304409  0.361990  1
  Fe  Fe101  1  0.025362  0.607620  0.344511  1
  Fe  Fe102  1  0.525362  0.607620  0.344511  1
  Fe  Fe103  1  0.957017  0.243800  0.357364  1
  Fe  Fe104  1  0.457017  0.243800  0.357364  1
  Fe  Fe105  1  0.698854  0.932776  0.375002  1
  Fe  Fe106  1  0.198854  0.932776  0.375002  1
  Fe  Fe107  1  0.628400  0.558353  0.386875  1
  Fe  Fe108  1  0.128400  0.558353  0.386875  1
  Fe  Fe109  1  0.893951  0.874209  0.370466  1
  Fe  Fe110  1  0.393951  0.874209  0.370466  1
  Fe  Fe111  1  0.822095  0.513138  0.384196  1
  Fe  Fe112  1  0.322095  0.513138  0.384196  1
  Fe  Fe113  1  0.565081  0.179424  0.399715  1
  Fe  Fe114  1  0.065081  0.179424  0.399715  1
  Fe  Fe115  1  0.502311  0.806035  0.412228  1
  Fe  Fe116  1  0.002311  0.806035  0.412228  1
  Fe  Fe117  1  0.752527  0.149726  0.396535  1
  Fe  Fe118  1  0.252527  0.149726  0.396535  1
  Fe  Fe119  1  0.659468  0.837084  0.415252  1
  Fe  Fe120  1  0.159468  0.837084  0.415252  1
  Fe  Fe121  1  0.443692  0.427499  0.424933  1
  Fe  Fe122  1  0.943692  0.427499  0.424933  1
  Fe  Fe123  1  0.386764  0.054509  0.436795  1
  Fe  Fe124  1  0.886764  0.054509  0.436795  1
  Fe  Fe125  1  0.591882  0.473023  0.427901  1
  Fe  Fe126  1  0.091882  0.473023  0.427901  1
  Fe  Fe127  1  0.523833  0.111731  0.441568  1
  Fe  Fe128  1  0.023833  0.111731  0.441568  1
  Fe  Fe129  1  0.323016  0.682601  0.449229  1
  Fe  Fe130  1  0.823016  0.682601  0.449229  1
  Fe  Fe131  1  0.258529  0.314211  0.461338  1
  Fe  Fe132  1  0.758529  0.314211  0.461338  1
  Fe  Fe133  1  0.459854  0.739877  0.454182  1
  Fe  Fe134  1  0.959854  0.739877  0.454182  1
  Fe  Fe135  1  0.391953  0.375197  0.466994  1
  Fe  Fe136  1  0.891953  0.375197  0.466994  1
  Fe  Fe137  1  0.193561  0.942127  0.472561  1
  Fe  Fe138  1  0.693561  0.942127  0.472561  1
  Fe  Fe139  1  0.129834  0.572994  0.484611  1
  Fe  Fe140  1  0.629834  0.572994  0.484611  1
  Fe  Fe141  1  0.328202  0.004491  0.479051  1
  Fe  Fe142  1  0.828202  0.004491  0.479051  1
  Fe  Fe143  1  0.264200  0.634854  0.492072  1
  Fe  Fe144  1  0.764200  0.634854  0.492072  1
  Fe  Fe145  1  0.065723  0.202793  0.496873  1
  Fe  Fe146  1  0.565723  0.202793  0.496873  1
  Fe  Fe147  1  0.999079  0.833600  0.510329  1
  Fe  Fe148  1  0.499079  0.833600  0.510329  1
  Fe  Fe149  1  0.200275  0.264679  0.504307  1
  Fe  Fe150  1  0.700275  0.264679  0.504307  1
  Fe  Fe151  1  0.135044  0.895957  0.516555  1
  Fe  Fe152  1  0.635044  0.895957  0.516555  1
  Fe  Fe153  1  0.934810  0.463687  0.522974  1
  Fe  Fe154  1  0.434810  0.463687  0.522974  1
  Fe  Fe155  1  0.869122  0.095313  0.535670  1
  Fe  Fe156  1  0.369122  0.095313  0.535670  1
  Fe  Fe157  1  0.070087  0.526935  0.528885  1
  Fe  Fe158  1  0.570087  0.526935  0.528885  1
  Fe  Fe159  1  0.005331  0.157811  0.541245  1
  Fe  Fe160  1  0.505331  0.157811  0.541245  1
  Fe  Fe161  1  0.803608  0.726277  0.548188  1
  Fe  Fe162  1  0.303608  0.726277  0.548188  1
  Fe  Fe163  1  0.738223  0.357709  0.560734  1
  Fe  Fe164  1  0.238223  0.357709  0.560734  1
  Fe  Fe165  1  0.939706  0.788223  0.554142  1
  Fe  Fe166  1  0.439706  0.788223  0.554142  1
  Fe  Fe167  1  0.874648  0.418997  0.566665  1
  Fe  Fe168  1  0.374648  0.418997  0.566665  1
  Fe  Fe169  1  0.673597  0.988223  0.573147  1
  Fe  Fe170  1  0.173597  0.988223  0.573147  1
  Fe  Fe171  1  0.607711  0.618781  0.586053  1
  Fe  Fe172  1  0.107711  0.618781  0.586053  1
  Fe  Fe173  1  0.809635  0.049987  0.579205  1
  Fe  Fe174  1  0.309635  0.049987  0.579205  1
  Fe  Fe175  1  0.743681  0.680925  0.591893  1
  Fe  Fe176  1  0.243681  0.680925  0.591893  1
  Fe  Fe177  1  0.543253  0.249615  0.598363  1
  Fe  Fe178  1  0.043253  0.249615  0.598363  1
  Fe  Fe179  1  0.478461  0.880360  0.610739  1
  Fe  Fe180  1  0.978461  0.880360  0.610739  1
  Fe  Fe181  1  0.678380  0.312673  0.604283  1
  Fe  Fe182  1  0.178380  0.312673  0.604283  1
  Fe  Fe183  1  0.614573  0.942565  0.616717  1
  Fe  Fe184  1  0.114573  0.942565  0.616717  1
  Fe  Fe185  1  0.412702  0.512113  0.623105  1
  Fe  Fe186  1  0.912702  0.512113  0.623105  1
  Fe  Fe187  1  0.348562  0.142607  0.635233  1
  Fe  Fe188  1  0.848562  0.142607  0.635233  1
  Fe  Fe189  1  0.547534  0.573465  0.630236  1
  Fe  Fe190  1  0.047534  0.573465  0.630236  1
  Fe  Fe191  1  0.483790  0.203289  0.642295  1
  Fe  Fe192  1  0.983790  0.203289  0.642295  1
  Fe  Fe193  1  0.283183  0.772565  0.648555  1
  Fe  Fe194  1  0.783183  0.772565  0.648555  1
  Fe  Fe195  1  0.218316  0.402213  0.660644  1
  Fe  Fe196  1  0.718316  0.402213  0.660644  1
  Fe  Fe197  1  0.420600  0.833800  0.654517  1
  Fe  Fe198  1  0.920600  0.833800  0.654517  1
  Fe  Fe199  1  0.353513  0.462708  0.665632  1
  Fe  Fe200  1  0.853513  0.462708  0.665632  1
  Fe  Fe201  1  0.153682  0.035264  0.673011  1
  Fe  Fe202  1  0.653682  0.035264  0.673011  1
  Fe  Fe203  1  0.087205  0.660447  0.686955  1
  Fe  Fe204  1  0.587205  0.660447  0.686955  1
  Fe  Fe205  1  0.290607  0.095380  0.677845  1
  Fe  Fe206  1  0.790607  0.095380  0.677845  1
  Fe  Fe207  1  0.223731  0.728939  0.692756  1
  Fe  Fe208  1  0.723731  0.728939  0.692756  1
  Fe  Fe209  1  0.026340  0.292966  0.698872  1
  Fe  Fe210  1  0.526340  0.292966  0.698872  1
  Fe  Fe211  1  0.965422  0.927031  0.711177  1
  Fe  Fe212  1  0.465422  0.927031  0.711177  1
  Fe  Fe213  1  0.168203  0.359152  0.705352  1
  Fe  Fe214  1  0.668203  0.359152  0.705352  1
  Fe  Fe215  1  0.105980  0.992720  0.718084  1
  Fe  Fe216  1  0.605980  0.992720  0.718084  1
