# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.57486319
_cell_length_b   12.83819890
_cell_length_c   47.75890065
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   143.00736223
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al99 Fe198'
_cell_volume   7590.74386006
_cell_formula_units_Z   99
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  0.090774  0.159085  0.288757  1
  Al  Al2  1  0.757441  0.159085  0.288757  1
  Al  Al3  1  0.816168  0.967473  0.314028  1
  Al  Al4  1  0.424107  0.159085  0.288757  1
  Al  Al5  1  0.482835  0.967473  0.314028  1
  Al  Al6  1  0.448855  0.562649  0.301860  1
  Al  Al7  1  0.149501  0.967473  0.314028  1
  Al  Al8  1  0.115522  0.562649  0.301860  1
  Al  Al9  1  0.782189  0.562649  0.301860  1
  Al  Al10  1  0.186270  0.369078  0.329479  1
  Al  Al11  1  0.852937  0.369078  0.329479  1
  Al  Al12  1  0.919849  0.171225  0.356186  1
  Al  Al13  1  0.519603  0.369078  0.329479  1
  Al  Al14  1  0.586516  0.171225  0.356186  1
  Al  Al15  1  0.550994  0.769946  0.342988  1
  Al  Al16  1  0.253182  0.171225  0.356186  1
  Al  Al17  1  0.217661  0.769946  0.342988  1
  Al  Al18  1  0.884327  0.769946  0.342988  1
  Al  Al19  1  0.289739  0.576725  0.370176  1
  Al  Al20  1  0.956406  0.576725  0.370176  1
  Al  Al21  1  0.024561  0.381667  0.396436  1
  Al  Al22  1  0.623072  0.576725  0.370176  1
  Al  Al23  1  0.691228  0.381667  0.396436  1
  Al  Al24  1  0.656720  0.979853  0.383269  1
  Al  Al25  1  0.357895  0.381667  0.396436  1
  Al  Al26  1  0.323387  0.979853  0.383269  1
  Al  Al27  1  0.990053  0.979853  0.383269  1
  Al  Al28  1  0.393158  0.784887  0.410397  1
  Al  Al29  1  0.059825  0.784887  0.410397  1
  Al  Al30  1  0.128674  0.590245  0.436711  1
  Al  Al31  1  0.726492  0.784887  0.410397  1
  Al  Al32  1  0.795341  0.590245  0.436711  1
  Al  Al33  1  0.760922  0.187992  0.423487  1
  Al  Al34  1  0.462008  0.590245  0.436711  1
  Al  Al35  1  0.427588  0.187992  0.423487  1
  Al  Al36  1  0.094255  0.187992  0.423487  1
  Al  Al37  1  0.497082  0.993339  0.450463  1
  Al  Al38  1  0.163749  0.993339  0.450463  1
  Al  Al39  1  0.232616  0.798160  0.477003  1
  Al  Al40  1  0.830416  0.993339  0.450463  1
  Al  Al41  1  0.899283  0.798160  0.477003  1
  Al  Al42  1  0.864803  0.395821  0.463699  1
  Al  Al43  1  0.565950  0.798160  0.477003  1
  Al  Al44  1  0.531470  0.395821  0.463699  1
  Al  Al45  1  0.198136  0.395821  0.463699  1
  Al  Al46  1  0.600938  0.201379  0.490605  1
  Al  Al47  1  0.267605  0.201379  0.490605  1
  Al  Al48  1  0.336533  0.006227  0.517200  1
  Al  Al49  1  0.934272  0.201379  0.490605  1
  Al  Al50  1  0.003199  0.006227  0.517200  1
  Al  Al51  1  0.968682  0.603793  0.503874  1
  Al  Al52  1  0.669866  0.006227  0.517200  1
  Al  Al53  1  0.635348  0.603793  0.503874  1
  Al  Al54  1  0.302015  0.603793  0.503874  1
  Al  Al55  1  0.704845  0.409401  0.530795  1
  Al  Al56  1  0.371512  0.409401  0.530795  1
  Al  Al57  1  0.440388  0.214042  0.557380  1
  Al  Al58  1  0.038179  0.409401  0.530795  1
  Al  Al59  1  0.107054  0.214042  0.557380  1
  Al  Al60  1  0.072548  0.811830  0.544039  1
  Al  Al61  1  0.773721  0.214042  0.557380  1
  Al  Al62  1  0.739215  0.811830  0.544039  1
  Al  Al63  1  0.405881  0.811830  0.544039  1
  Al  Al64  1  0.808776  0.617246  0.571082  1
  Al  Al65  1  0.475442  0.617246  0.571082  1
  Al  Al66  1  0.544396  0.422474  0.597390  1
  Al  Al67  1  0.142109  0.617246  0.571082  1
  Al  Al68  1  0.211063  0.422474  0.597390  1
  Al  Al69  1  0.176396  0.019988  0.584205  1
  Al  Al70  1  0.877730  0.422474  0.597390  1
  Al  Al71  1  0.843062  0.019988  0.584205  1
  Al  Al72  1  0.509729  0.019988  0.584205  1
  Al  Al73  1  0.913129  0.826191  0.611301  1
  Al  Al74  1  0.579796  0.826191  0.611301  1
  Al  Al75  1  0.648104  0.630373  0.637502  1
  Al  Al76  1  0.246462  0.826191  0.611301  1
  Al  Al77  1  0.314770  0.630373  0.637502  1
  Al  Al78  1  0.280127  0.228035  0.624493  1
  Al  Al79  1  0.981437  0.630373  0.637502  1
  Al  Al80  1  0.946794  0.228035  0.624493  1
  Al  Al81  1  0.613460  0.228035  0.624493  1
  Al  Al82  1  0.018375  0.036476  0.651748  1
  Al  Al83  1  0.685042  0.036476  0.651748  1
  Al  Al84  1  0.751740  0.833888  0.678571  1
  Al  Al85  1  0.351709  0.036476  0.651748  1
  Al  Al86  1  0.418407  0.833888  0.678571  1
  Al  Al87  1  0.384557  0.437393  0.664981  1
  Al  Al88  1  0.085074  0.833888  0.678571  1
  Al  Al89  1  0.051224  0.437393  0.664981  1
  Al  Al90  1  0.717890  0.437393  0.664981  1
  Al  Al91  1  0.120215  0.238587  0.693675  1
  Al  Al92  1  0.786882  0.238587  0.693675  1
  Al  Al93  1  0.844829  0.048260  0.718611  1
  Al  Al94  1  0.453548  0.238587  0.693675  1
  Al  Al95  1  0.511495  0.048260  0.718611  1
  Al  Al96  1  0.480895  0.646693  0.705833  1
  Al  Al97  1  0.178162  0.048260  0.718611  1
  Al  Al98  1  0.147562  0.646693  0.705833  1
  Al  Al99  1  0.814229  0.646693  0.705833  1
  Fe  Fe100  1  0.895382  0.897108  0.301253  1
  Fe  Fe101  1  0.562048  0.897108  0.301253  1
  Fe  Fe102  1  0.540069  0.513370  0.288481  1
  Fe  Fe103  1  0.228715  0.897108  0.301253  1
  Fe  Fe104  1  0.206736  0.513370  0.288481  1
  Fe  Fe105  1  0.257437  0.288368  0.315089  1
  Fe  Fe106  1  0.873403  0.513370  0.288481  1
  Fe  Fe107  1  0.924104  0.288368  0.315089  1
  Fe  Fe108  1  0.590771  0.288368  0.315089  1
  Fe  Fe109  1  0.984024  0.845932  0.291980  1
  Fe  Fe110  1  0.650690  0.845932  0.291980  1
  Fe  Fe111  1  0.622094  0.452443  0.278774  1
  Fe  Fe112  1  0.317357  0.845932  0.291980  1
  Fe  Fe113  1  0.288760  0.452443  0.278774  1
  Fe  Fe114  1  0.351978  0.248206  0.303814  1
  Fe  Fe115  1  0.955427  0.452443  0.278774  1
  Fe  Fe116  1  0.018644  0.248206  0.303814  1
  Fe  Fe117  1  0.685311  0.248206  0.303814  1
  Fe  Fe118  1  0.994393  0.098196  0.341302  1
  Fe  Fe119  1  0.661060  0.098196  0.341302  1
  Fe  Fe120  1  0.626167  0.697109  0.329882  1
  Fe  Fe121  1  0.327727  0.098196  0.341302  1
  Fe  Fe122  1  0.292834  0.697109  0.329882  1
  Fe  Fe123  1  0.360548  0.497695  0.354455  1
  Fe  Fe124  1  0.959500  0.697109  0.329882  1
  Fe  Fe125  1  0.027215  0.497695  0.354455  1
  Fe  Fe126  1  0.693882  0.497695  0.354455  1
  Fe  Fe127  1  0.078377  0.045007  0.333208  1
  Fe  Fe128  1  0.745043  0.045007  0.333208  1
  Fe  Fe129  1  0.713530  0.649743  0.318478  1
  Fe  Fe130  1  0.411710  0.045007  0.333208  1
  Fe  Fe131  1  0.380197  0.649743  0.318478  1
  Fe  Fe132  1  0.446774  0.447757  0.344567  1
  Fe  Fe133  1  0.046863  0.649743  0.318478  1
  Fe  Fe134  1  0.113441  0.447757  0.344567  1
  Fe  Fe135  1  0.780107  0.447757  0.344567  1
  Fe  Fe136  1  0.097030  0.304025  0.381387  1
  Fe  Fe137  1  0.763696  0.304025  0.381387  1
  Fe  Fe138  1  0.729085  0.901476  0.369004  1
  Fe  Fe139  1  0.430363  0.304025  0.381387  1
  Fe  Fe140  1  0.395752  0.901476  0.369004  1
  Fe  Fe141  1  0.464454  0.706376  0.394568  1
  Fe  Fe142  1  0.062418  0.901476  0.369004  1
  Fe  Fe143  1  0.131121  0.706376  0.394568  1
  Fe  Fe144  1  0.797787  0.706376  0.394568  1
  Fe  Fe145  1  0.183910  0.254949  0.372090  1
  Fe  Fe146  1  0.850577  0.254949  0.372090  1
  Fe  Fe147  1  0.816067  0.854801  0.357916  1
  Fe  Fe148  1  0.517244  0.254949  0.372090  1
  Fe  Fe149  1  0.482734  0.854801  0.357916  1
  Fe  Fe150  1  0.550293  0.655661  0.385200  1
  Fe  Fe151  1  0.149400  0.854801  0.357916  1
  Fe  Fe152  1  0.216960  0.655661  0.385200  1
  Fe  Fe153  1  0.883627  0.655661  0.385200  1
  Fe  Fe154  1  0.200508  0.511183  0.421610  1
  Fe  Fe155  1  0.867175  0.511183  0.421610  1
  Fe  Fe156  1  0.832787  0.109097  0.408544  1
  Fe  Fe157  1  0.533841  0.511183  0.421610  1
  Fe  Fe158  1  0.499454  0.109097  0.408544  1
  Fe  Fe159  1  0.568265  0.913763  0.434954  1
  Fe  Fe160  1  0.166120  0.109097  0.408544  1
  Fe  Fe161  1  0.234932  0.913763  0.434954  1
  Fe  Fe162  1  0.901599  0.913763  0.434954  1
  Fe  Fe163  1  0.287303  0.462078  0.412193  1
  Fe  Fe164  1  0.953970  0.462078  0.412193  1
  Fe  Fe165  1  0.919105  0.059666  0.398606  1
  Fe  Fe166  1  0.620636  0.462078  0.412193  1
  Fe  Fe167  1  0.585771  0.059666  0.398606  1
  Fe  Fe168  1  0.654617  0.864354  0.425418  1
  Fe  Fe169  1  0.252438  0.059666  0.398606  1
  Fe  Fe170  1  0.321283  0.864354  0.425418  1
  Fe  Fe171  1  0.987950  0.864354  0.425418  1
  Fe  Fe172  1  0.304372  0.719173  0.461787  1
  Fe  Fe173  1  0.971039  0.719173  0.461787  1
  Fe  Fe174  1  0.936450  0.316604  0.448558  1
  Fe  Fe175  1  0.637705  0.719173  0.461787  1
  Fe  Fe176  1  0.603117  0.316604  0.448558  1
  Fe  Fe177  1  0.672168  0.121810  0.475157  1
  Fe  Fe178  1  0.269784  0.316604  0.448558  1
  Fe  Fe179  1  0.338834  0.121810  0.475157  1
  Fe  Fe180  1  0.005501  0.121810  0.475157  1
  Fe  Fe181  1  0.390909  0.669785  0.452328  1
  Fe  Fe182  1  0.057575  0.669785  0.452328  1
  Fe  Fe183  1  0.022895  0.267528  0.438749  1
  Fe  Fe184  1  0.724242  0.669785  0.452328  1
  Fe  Fe185  1  0.689562  0.267528  0.438749  1
  Fe  Fe186  1  0.758586  0.072444  0.465603  1
  Fe  Fe187  1  0.356229  0.267528  0.438749  1
  Fe  Fe188  1  0.425253  0.072444  0.465603  1
  Fe  Fe189  1  0.091919  0.072444  0.465603  1
  Fe  Fe190  1  0.408235  0.927154  0.501957  1
  Fe  Fe191  1  0.074902  0.927154  0.501957  1
  Fe  Fe192  1  0.040247  0.524425  0.488695  1
  Fe  Fe193  1  0.741568  0.927154  0.501957  1
  Fe  Fe194  1  0.706914  0.524425  0.488695  1
  Fe  Fe195  1  0.776029  0.329735  0.515341  1
  Fe  Fe196  1  0.373581  0.524425  0.488695  1
  Fe  Fe197  1  0.442696  0.329735  0.515341  1
  Fe  Fe198  1  0.109362  0.329735  0.515341  1
  Fe  Fe199  1  0.494717  0.877744  0.492468  1
  Fe  Fe200  1  0.161384  0.877744  0.492468  1
  Fe  Fe201  1  0.126732  0.475386  0.478930  1
  Fe  Fe202  1  0.828051  0.877744  0.492468  1
  Fe  Fe203  1  0.793398  0.475386  0.478930  1
  Fe  Fe204  1  0.862486  0.280411  0.505779  1
  Fe  Fe205  1  0.460065  0.475386  0.478930  1
  Fe  Fe206  1  0.529152  0.280411  0.505779  1
  Fe  Fe207  1  0.195819  0.280411  0.505779  1
  Fe  Fe208  1  0.512095  0.135084  0.542113  1
  Fe  Fe209  1  0.178762  0.135084  0.542113  1
  Fe  Fe210  1  0.144132  0.732370  0.528894  1
  Fe  Fe211  1  0.845429  0.135084  0.542113  1
  Fe  Fe212  1  0.810799  0.732370  0.528894  1
  Fe  Fe213  1  0.879837  0.537686  0.555469  1
  Fe  Fe214  1  0.477465  0.732370  0.528894  1
  Fe  Fe215  1  0.546504  0.537686  0.555469  1
  Fe  Fe216  1  0.213170  0.537686  0.555469  1
  Fe  Fe217  1  0.598571  0.085719  0.532630  1
  Fe  Fe218  1  0.265238  0.085719  0.532630  1
  Fe  Fe219  1  0.230604  0.683317  0.519131  1
  Fe  Fe220  1  0.931905  0.085719  0.532630  1
  Fe  Fe221  1  0.897271  0.683317  0.519131  1
  Fe  Fe222  1  0.966336  0.488329  0.545936  1
  Fe  Fe223  1  0.563938  0.683317  0.519131  1
  Fe  Fe224  1  0.633003  0.488329  0.545936  1
  Fe  Fe225  1  0.299670  0.488329  0.545936  1
  Fe  Fe226  1  0.615908  0.342829  0.582256  1
  Fe  Fe227  1  0.282575  0.342829  0.582256  1
  Fe  Fe228  1  0.248092  0.940591  0.569096  1
  Fe  Fe229  1  0.949242  0.342829  0.582256  1
  Fe  Fe230  1  0.914759  0.940591  0.569096  1
  Fe  Fe231  1  0.983436  0.745358  0.595600  1
  Fe  Fe232  1  0.581426  0.940591  0.569096  1
  Fe  Fe233  1  0.650103  0.745358  0.595600  1
  Fe  Fe234  1  0.316769  0.745358  0.595600  1
  Fe  Fe235  1  0.702455  0.293580  0.572830  1
  Fe  Fe236  1  0.369122  0.293580  0.572830  1
  Fe  Fe237  1  0.334454  0.891328  0.559316  1
  Fe  Fe238  1  0.035788  0.293580  0.572830  1
  Fe  Fe239  1  0.001121  0.891328  0.559316  1
  Fe  Fe240  1  0.070219  0.696321  0.586038  1
  Fe  Fe241  1  0.667788  0.891328  0.559316  1
  Fe  Fe242  1  0.736885  0.696321  0.586038  1
  Fe  Fe243  1  0.403552  0.696321  0.586038  1
  Fe  Fe244  1  0.719880  0.550577  0.622294  1
  Fe  Fe245  1  0.386546  0.550577  0.622294  1
  Fe  Fe246  1  0.352237  0.149080  0.609421  1
  Fe  Fe247  1  0.053213  0.550577  0.622294  1
  Fe  Fe248  1  0.018904  0.149080  0.609421  1
  Fe  Fe249  1  0.086352  0.950957  0.635984  1
  Fe  Fe250  1  0.685570  0.149080  0.609421  1
  Fe  Fe251  1  0.753019  0.950957  0.635984  1
  Fe  Fe252  1  0.419685  0.950957  0.635984  1
  Fe  Fe253  1  0.806051  0.500373  0.613174  1
  Fe  Fe254  1  0.472718  0.500373  0.613174  1
  Fe  Fe255  1  0.438302  0.099092  0.599538  1
  Fe  Fe256  1  0.139385  0.500373  0.613174  1
  Fe  Fe257  1  0.104968  0.099092  0.599538  1
  Fe  Fe258  1  0.173818  0.904207  0.626009  1
  Fe  Fe259  1  0.771635  0.099092  0.599538  1
  Fe  Fe260  1  0.840485  0.904207  0.626009  1
  Fe  Fe261  1  0.507151  0.904207  0.626009  1
  Fe  Fe262  1  0.825248  0.759827  0.661444  1
  Fe  Fe263  1  0.491914  0.759827  0.661444  1
  Fe  Fe264  1  0.455373  0.355343  0.650422  1
  Fe  Fe265  1  0.158581  0.759827  0.661444  1
  Fe  Fe266  1  0.122040  0.355343  0.650422  1
  Fe  Fe267  1  0.190396  0.160137  0.674316  1
  Fe  Fe268  1  0.788706  0.355343  0.650422  1
  Fe  Fe269  1  0.857063  0.160137  0.674316  1
  Fe  Fe270  1  0.523729  0.160137  0.674316  1
  Fe  Fe271  1  0.909753  0.707918  0.653148  1
  Fe  Fe272  1  0.576419  0.707918  0.653148  1
  Fe  Fe273  1  0.542480  0.308759  0.639304  1
  Fe  Fe274  1  0.243086  0.707918  0.653148  1
  Fe  Fe275  1  0.209147  0.308759  0.639304  1
  Fe  Fe276  1  0.276017  0.109095  0.666041  1
  Fe  Fe277  1  0.875814  0.308759  0.639304  1
  Fe  Fe278  1  0.942684  0.109095  0.666041  1
  Fe  Fe279  1  0.609350  0.109095  0.666041  1
  Fe  Fe280  1  0.917126  0.957459  0.703148  1
  Fe  Fe281  1  0.583792  0.957459  0.703148  1
  Fe  Fe282  1  0.554550  0.560849  0.690535  1
  Fe  Fe283  1  0.250459  0.957459  0.703148  1
  Fe  Fe284  1  0.221217  0.560849  0.690535  1
  Fe  Fe285  1  0.282551  0.353533  0.715481  1
  Fe  Fe286  1  0.887883  0.560849  0.690535  1
  Fe  Fe287  1  0.949218  0.353533  0.715481  1
  Fe  Fe288  1  0.615884  0.353533  0.715481  1
  Fe  Fe289  1  0.010092  0.910953  0.693278  1
  Fe  Fe290  1  0.676758  0.910953  0.693278  1
  Fe  Fe291  1  0.645356  0.515648  0.679146  1
  Fe  Fe292  1  0.343425  0.910953  0.693278  1
  Fe  Fe293  1  0.312023  0.515648  0.679146  1
  Fe  Fe294  1  0.372634  0.306145  0.706297  1
  Fe  Fe295  1  0.978690  0.515648  0.679146  1
  Fe  Fe296  1  0.039300  0.306145  0.706297  1
  Fe  Fe297  1  0.705967  0.306145  0.706297  1
