# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.36874883
_cell_length_b   11.37570404
_cell_length_c   47.68509844
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe264
_cell_volume   7251.8987542
_cell_formula_units_Z   264
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
  Fe  Fe1  1  0.059835  0.769043  0.282435  1
  Fe  Fe2  1  0.225675  0.690127  0.300940  1
  Fe  Fe3  1  0.059009  0.190127  0.300940  1
  Fe  Fe4  1  0.393168  0.769043  0.282435  1
  Fe  Fe5  1  0.559009  0.690127  0.300940  1
  Fe  Fe6  1  0.226502  0.269043  0.282435  1
  Fe  Fe7  1  0.392342  0.190127  0.300940  1
  Fe  Fe8  1  0.726502  0.769043  0.282435  1
  Fe  Fe9  1  0.892342  0.690127  0.300940  1
  Fe  Fe10  1  0.559835  0.269043  0.282435  1
  Fe  Fe11  1  0.725675  0.190127  0.300940  1
  Fe  Fe12  1  0.893168  0.269043  0.282435  1
  Fe  Fe13  1  0.115176  0.404981  0.311210  1
  Fe  Fe14  1  0.282530  0.480575  0.291178  1
  Fe  Fe15  1  0.115863  0.980575  0.291178  1
  Fe  Fe16  1  0.448509  0.404981  0.311210  1
  Fe  Fe17  1  0.615863  0.480575  0.291178  1
  Fe  Fe18  1  0.281842  0.904981  0.311210  1
  Fe  Fe19  1  0.449197  0.980575  0.291178  1
  Fe  Fe20  1  0.781842  0.404981  0.311210  1
  Fe  Fe21  1  0.949197  0.480575  0.291178  1
  Fe  Fe22  1  0.615176  0.904981  0.311210  1
  Fe  Fe23  1  0.782530  0.980575  0.291178  1
  Fe  Fe24  1  0.948509  0.904981  0.311210  1
  Fe  Fe25  1  0.059169  0.614225  0.321781  1
  Fe  Fe26  1  0.225610  0.537490  0.342010  1
  Fe  Fe27  1  0.058943  0.037490  0.342010  1
  Fe  Fe28  1  0.392502  0.614225  0.321781  1
  Fe  Fe29  1  0.558943  0.537490  0.342010  1
  Fe  Fe30  1  0.225835  0.114225  0.321781  1
  Fe  Fe31  1  0.392277  0.037490  0.342010  1
  Fe  Fe32  1  0.725835  0.614225  0.321781  1
  Fe  Fe33  1  0.892277  0.537490  0.342010  1
  Fe  Fe34  1  0.559169  0.114225  0.321781  1
  Fe  Fe35  1  0.725610  0.037490  0.342010  1
  Fe  Fe36  1  0.892502  0.114225  0.321781  1
  Fe  Fe37  1  0.115308  0.248726  0.352160  1
  Fe  Fe38  1  0.283044  0.325832  0.332275  1
  Fe  Fe39  1  0.116377  0.825832  0.332275  1
  Fe  Fe40  1  0.448641  0.248726  0.352160  1
  Fe  Fe41  1  0.616377  0.325832  0.332275  1
  Fe  Fe42  1  0.281975  0.748726  0.352160  1
  Fe  Fe43  1  0.449711  0.825832  0.332275  1
  Fe  Fe44  1  0.781975  0.248726  0.352160  1
  Fe  Fe45  1  0.949711  0.325832  0.332275  1
  Fe  Fe46  1  0.615308  0.748726  0.352160  1
  Fe  Fe47  1  0.783044  0.825832  0.332275  1
  Fe  Fe48  1  0.948641  0.748726  0.352160  1
  Fe  Fe49  1  0.059862  0.459840  0.362106  1
  Fe  Fe50  1  0.226598  0.382234  0.381990  1
  Fe  Fe51  1  0.059931  0.882234  0.381990  1
  Fe  Fe52  1  0.393195  0.459840  0.362106  1
  Fe  Fe53  1  0.559931  0.382234  0.381990  1
  Fe  Fe54  1  0.226528  0.959840  0.362106  1
  Fe  Fe55  1  0.393264  0.882234  0.381990  1
  Fe  Fe56  1  0.726528  0.459840  0.362106  1
  Fe  Fe57  1  0.893264  0.382234  0.381990  1
  Fe  Fe58  1  0.559862  0.959840  0.362106  1
  Fe  Fe59  1  0.726598  0.882234  0.381990  1
  Fe  Fe60  1  0.893195  0.959840  0.362106  1
  Fe  Fe61  1  0.114680  0.093205  0.391974  1
  Fe  Fe62  1  0.281452  0.170992  0.372074  1
  Fe  Fe63  1  0.114785  0.670992  0.372074  1
  Fe  Fe64  1  0.448013  0.093205  0.391974  1
  Fe  Fe65  1  0.614785  0.170992  0.372074  1
  Fe  Fe66  1  0.281346  0.593205  0.391974  1
  Fe  Fe67  1  0.448118  0.670992  0.372074  1
  Fe  Fe68  1  0.781346  0.093205  0.391974  1
  Fe  Fe69  1  0.948118  0.170992  0.372074  1
  Fe  Fe70  1  0.614680  0.593205  0.391974  1
  Fe  Fe71  1  0.781452  0.670992  0.372074  1
  Fe  Fe72  1  0.948013  0.593205  0.391974  1
  Fe  Fe73  1  0.059977  0.304342  0.402028  1
  Fe  Fe74  1  0.226616  0.226576  0.421966  1
  Fe  Fe75  1  0.059950  0.726576  0.421966  1
  Fe  Fe76  1  0.393310  0.304342  0.402028  1
  Fe  Fe77  1  0.559950  0.226576  0.421966  1
  Fe  Fe78  1  0.226643  0.804342  0.402028  1
  Fe  Fe79  1  0.393283  0.726576  0.421966  1
  Fe  Fe80  1  0.726643  0.304342  0.402028  1
  Fe  Fe81  1  0.893283  0.226576  0.421966  1
  Fe  Fe82  1  0.559977  0.804342  0.402028  1
  Fe  Fe83  1  0.726616  0.726576  0.421966  1
  Fe  Fe84  1  0.893310  0.804342  0.402028  1
  Fe  Fe85  1  0.114657  0.937687  0.431935  1
  Fe  Fe86  1  0.281343  0.015472  0.411994  1
  Fe  Fe87  1  0.114676  0.515472  0.411994  1
  Fe  Fe88  1  0.447991  0.937687  0.431935  1
  Fe  Fe89  1  0.614676  0.015472  0.411994  1
  Fe  Fe90  1  0.281324  0.437687  0.431935  1
  Fe  Fe91  1  0.448010  0.515472  0.411994  1
  Fe  Fe92  1  0.781324  0.937687  0.431935  1
  Fe  Fe93  1  0.948010  0.015472  0.411994  1
  Fe  Fe94  1  0.614657  0.437687  0.431935  1
  Fe  Fe95  1  0.781343  0.515472  0.411994  1
  Fe  Fe96  1  0.947991  0.437687  0.431935  1
  Fe  Fe97  1  0.059978  0.148783  0.441921  1
  Fe  Fe98  1  0.226629  0.071016  0.461896  1
  Fe  Fe99  1  0.059962  0.571016  0.461896  1
  Fe  Fe100  1  0.393312  0.148783  0.441921  1
  Fe  Fe101  1  0.559962  0.071016  0.461896  1
  Fe  Fe102  1  0.226645  0.648783  0.441921  1
  Fe  Fe103  1  0.393296  0.571016  0.461896  1
  Fe  Fe104  1  0.726645  0.148783  0.441921  1
  Fe  Fe105  1  0.893296  0.071016  0.461896  1
  Fe  Fe106  1  0.559978  0.648783  0.441921  1
  Fe  Fe107  1  0.726629  0.571016  0.461896  1
  Fe  Fe108  1  0.893312  0.648783  0.441921  1
  Fe  Fe109  1  0.114681  0.782124  0.471877  1
  Fe  Fe110  1  0.281344  0.859909  0.451920  1
  Fe  Fe111  1  0.114678  0.359909  0.451920  1
  Fe  Fe112  1  0.448014  0.782124  0.471877  1
  Fe  Fe113  1  0.614678  0.859909  0.451920  1
  Fe  Fe114  1  0.281348  0.282124  0.471877  1
  Fe  Fe115  1  0.448011  0.359909  0.451920  1
  Fe  Fe116  1  0.781348  0.782124  0.471877  1
  Fe  Fe117  1  0.948011  0.859909  0.451920  1
  Fe  Fe118  1  0.614681  0.282124  0.471877  1
  Fe  Fe119  1  0.781344  0.359909  0.451920  1
  Fe  Fe120  1  0.948014  0.282124  0.471877  1
  Fe  Fe121  1  0.059973  0.993238  0.481859  1
  Fe  Fe122  1  0.226637  0.915459  0.501829  1
  Fe  Fe123  1  0.059970  0.415459  0.501829  1
  Fe  Fe124  1  0.393306  0.993238  0.481859  1
  Fe  Fe125  1  0.559970  0.915459  0.501829  1
  Fe  Fe126  1  0.226639  0.493238  0.481859  1
  Fe  Fe127  1  0.393303  0.415459  0.501829  1
  Fe  Fe128  1  0.726639  0.993238  0.481859  1
  Fe  Fe129  1  0.893303  0.915459  0.501829  1
  Fe  Fe130  1  0.559973  0.493238  0.481859  1
  Fe  Fe131  1  0.726637  0.415459  0.501829  1
  Fe  Fe132  1  0.893306  0.493238  0.481859  1
  Fe  Fe133  1  0.114670  0.626565  0.511811  1
  Fe  Fe134  1  0.281340  0.704343  0.491841  1
  Fe  Fe135  1  0.114673  0.204343  0.491841  1
  Fe  Fe136  1  0.448004  0.626565  0.511811  1
  Fe  Fe137  1  0.614673  0.704343  0.491841  1
  Fe  Fe138  1  0.281337  0.126565  0.511811  1
  Fe  Fe139  1  0.448007  0.204343  0.491841  1
  Fe  Fe140  1  0.781337  0.626565  0.511811  1
  Fe  Fe141  1  0.948007  0.704343  0.491841  1
  Fe  Fe142  1  0.614670  0.126565  0.511811  1
  Fe  Fe143  1  0.781340  0.204343  0.491841  1
  Fe  Fe144  1  0.948004  0.126565  0.511811  1
  Fe  Fe145  1  0.059962  0.837678  0.521793  1
  Fe  Fe146  1  0.226632  0.759893  0.541751  1
  Fe  Fe147  1  0.059966  0.259893  0.541751  1
  Fe  Fe148  1  0.393295  0.837678  0.521793  1
  Fe  Fe149  1  0.559966  0.759893  0.541751  1
  Fe  Fe150  1  0.226629  0.337678  0.521793  1
  Fe  Fe151  1  0.393299  0.259893  0.541751  1
  Fe  Fe152  1  0.726629  0.837678  0.521793  1
  Fe  Fe153  1  0.893299  0.759893  0.541751  1
  Fe  Fe154  1  0.559962  0.337678  0.521793  1
  Fe  Fe155  1  0.726632  0.259893  0.541751  1
  Fe  Fe156  1  0.893295  0.337678  0.521793  1
  Fe  Fe157  1  0.114665  0.471020  0.551749  1
  Fe  Fe158  1  0.281348  0.548787  0.531774  1
  Fe  Fe159  1  0.114681  0.048787  0.531774  1
  Fe  Fe160  1  0.447998  0.471020  0.551749  1
  Fe  Fe161  1  0.614681  0.548787  0.531774  1
  Fe  Fe162  1  0.281332  0.971020  0.551749  1
  Fe  Fe163  1  0.448014  0.048787  0.531774  1
  Fe  Fe164  1  0.781332  0.471020  0.551749  1
  Fe  Fe165  1  0.948014  0.548787  0.531774  1
  Fe  Fe166  1  0.614665  0.971020  0.551749  1
  Fe  Fe167  1  0.781348  0.048787  0.531774  1
  Fe  Fe168  1  0.947998  0.971020  0.551749  1
  Fe  Fe169  1  0.059986  0.682116  0.561735  1
  Fe  Fe170  1  0.226634  0.604331  0.581676  1
  Fe  Fe171  1  0.059967  0.104331  0.581676  1
  Fe  Fe172  1  0.393319  0.682116  0.561735  1
  Fe  Fe173  1  0.559967  0.604331  0.581676  1
  Fe  Fe174  1  0.226653  0.182116  0.561735  1
  Fe  Fe175  1  0.393300  0.104331  0.581676  1
  Fe  Fe176  1  0.726653  0.682116  0.561735  1
  Fe  Fe177  1  0.893300  0.604331  0.581676  1
  Fe  Fe178  1  0.559986  0.182116  0.561735  1
  Fe  Fe179  1  0.726634  0.104331  0.581676  1
  Fe  Fe180  1  0.893319  0.182116  0.561735  1
  Fe  Fe181  1  0.114667  0.315461  0.591642  1
  Fe  Fe182  1  0.281360  0.393226  0.571704  1
  Fe  Fe183  1  0.114694  0.893226  0.571704  1
  Fe  Fe184  1  0.448000  0.315461  0.591642  1
  Fe  Fe185  1  0.614694  0.393226  0.571704  1
  Fe  Fe186  1  0.281333  0.815461  0.591642  1
  Fe  Fe187  1  0.448027  0.893226  0.571704  1
  Fe  Fe188  1  0.781333  0.315461  0.591642  1
  Fe  Fe189  1  0.948027  0.393226  0.571704  1
  Fe  Fe190  1  0.614667  0.815461  0.591642  1
  Fe  Fe191  1  0.781360  0.893226  0.571704  1
  Fe  Fe192  1  0.948000  0.815461  0.591642  1
  Fe  Fe193  1  0.059964  0.526597  0.601696  1
  Fe  Fe194  1  0.226525  0.448810  0.621596  1
  Fe  Fe195  1  0.059858  0.948810  0.621596  1
  Fe  Fe196  1  0.393297  0.526597  0.601696  1
  Fe  Fe197  1  0.559858  0.448810  0.621596  1
  Fe  Fe198  1  0.226630  0.026597  0.601696  1
  Fe  Fe199  1  0.393192  0.948810  0.621596  1
  Fe  Fe200  1  0.726630  0.526597  0.601696  1
  Fe  Fe201  1  0.893192  0.448810  0.621596  1
  Fe  Fe202  1  0.559964  0.026597  0.601696  1
  Fe  Fe203  1  0.726525  0.948810  0.621596  1
  Fe  Fe204  1  0.893297  0.026597  0.601696  1
  Fe  Fe205  1  0.114782  0.159963  0.631564  1
  Fe  Fe206  1  0.281379  0.237569  0.611680  1
  Fe  Fe207  1  0.114712  0.737569  0.611680  1
  Fe  Fe208  1  0.448115  0.159963  0.631564  1
  Fe  Fe209  1  0.614712  0.237569  0.611680  1
  Fe  Fe210  1  0.281448  0.659963  0.631564  1
  Fe  Fe211  1  0.448046  0.737569  0.611680  1
  Fe  Fe212  1  0.781448  0.159963  0.631564  1
  Fe  Fe213  1  0.948046  0.237569  0.611680  1
  Fe  Fe214  1  0.614782  0.659963  0.631564  1
  Fe  Fe215  1  0.781379  0.737569  0.611680  1
  Fe  Fe216  1  0.948115  0.659963  0.631564  1
  Fe  Fe217  1  0.059335  0.371076  0.641510  1
  Fe  Fe218  1  0.224932  0.293971  0.661395  1
  Fe  Fe219  1  0.058266  0.793971  0.661395  1
  Fe  Fe220  1  0.392669  0.371076  0.641510  1
  Fe  Fe221  1  0.558266  0.293971  0.661395  1
  Fe  Fe222  1  0.226002  0.871076  0.641510  1
  Fe  Fe223  1  0.391599  0.793971  0.661395  1
  Fe  Fe224  1  0.726002  0.371076  0.641510  1
  Fe  Fe225  1  0.891599  0.293971  0.661395  1
  Fe  Fe226  1  0.559335  0.871076  0.641510  1
  Fe  Fe227  1  0.724932  0.793971  0.661395  1
  Fe  Fe228  1  0.892669  0.871076  0.641510  1
  Fe  Fe229  1  0.115475  0.005577  0.671889  1
  Fe  Fe230  1  0.282366  0.082313  0.651660  1
  Fe  Fe231  1  0.115700  0.582313  0.651660  1
  Fe  Fe232  1  0.448808  0.005577  0.671889  1
  Fe  Fe233  1  0.615700  0.082313  0.651660  1
  Fe  Fe234  1  0.282141  0.505577  0.671889  1
  Fe  Fe235  1  0.449033  0.582313  0.651660  1
  Fe  Fe236  1  0.782141  0.005577  0.671889  1
  Fe  Fe237  1  0.949033  0.082313  0.651660  1
  Fe  Fe238  1  0.615475  0.505577  0.671889  1
  Fe  Fe239  1  0.782366  0.582313  0.651660  1
  Fe  Fe240  1  0.948808  0.505577  0.671889  1
  Fe  Fe241  1  0.059467  0.214821  0.682460  1
  Fe  Fe242  1  0.225447  0.139228  0.702492  1
  Fe  Fe243  1  0.058780  0.639228  0.702492  1
  Fe  Fe244  1  0.392801  0.214821  0.682460  1
  Fe  Fe245  1  0.558780  0.139228  0.702492  1
  Fe  Fe246  1  0.226134  0.714821  0.682460  1
  Fe  Fe247  1  0.392113  0.639228  0.702492  1
  Fe  Fe248  1  0.726134  0.214821  0.682460  1
  Fe  Fe249  1  0.892113  0.139228  0.702492  1
  Fe  Fe250  1  0.559467  0.714821  0.682460  1
  Fe  Fe251  1  0.725447  0.639228  0.702492  1
  Fe  Fe252  1  0.892801  0.714821  0.682460  1
  Fe  Fe253  1  0.114808  0.850760  0.711235  1
  Fe  Fe254  1  0.282301  0.929676  0.692730  1
  Fe  Fe255  1  0.115635  0.429676  0.692730  1
  Fe  Fe256  1  0.448141  0.850760  0.711235  1
  Fe  Fe257  1  0.615635  0.929676  0.692730  1
  Fe  Fe258  1  0.281475  0.350760  0.711235  1
  Fe  Fe259  1  0.448968  0.429676  0.692730  1
  Fe  Fe260  1  0.781475  0.850760  0.711235  1
  Fe  Fe261  1  0.948968  0.929676  0.692730  1
  Fe  Fe262  1  0.614808  0.350760  0.711235  1
  Fe  Fe263  1  0.782301  0.429676  0.692730  1
  Fe  Fe264  1  0.948141  0.350760  0.711235  1
