# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.42574859
_cell_length_b   11.63010338
_cell_length_c   48.37638692
_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   6991.00425793
_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  0.119796  0.891436  0.273416  1
  Fe  Fe2  1  0.286463  0.803114  0.291337  1
  Fe  Fe3  1  0.119796  0.303114  0.291337  1
  Fe  Fe4  1  0.453129  0.891436  0.273416  1
  Fe  Fe5  1  0.619796  0.803114  0.291337  1
  Fe  Fe6  1  0.286463  0.391436  0.273416  1
  Fe  Fe7  1  0.453129  0.303114  0.291337  1
  Fe  Fe8  1  0.786463  0.891436  0.273416  1
  Fe  Fe9  1  0.953129  0.803114  0.291337  1
  Fe  Fe10  1  0.619796  0.391436  0.273416  1
  Fe  Fe11  1  0.786463  0.303114  0.291337  1
  Fe  Fe12  1  0.953129  0.391436  0.273416  1
  Fe  Fe13  1  0.119796  0.507138  0.300525  1
  Fe  Fe14  1  0.286463  0.596420  0.282304  1
  Fe  Fe15  1  0.119796  0.096420  0.282304  1
  Fe  Fe16  1  0.453129  0.507138  0.300525  1
  Fe  Fe17  1  0.619796  0.596420  0.282304  1
  Fe  Fe18  1  0.286463  0.007138  0.300525  1
  Fe  Fe19  1  0.453129  0.096420  0.282304  1
  Fe  Fe20  1  0.786463  0.507138  0.300525  1
  Fe  Fe21  1  0.953129  0.596420  0.282304  1
  Fe  Fe22  1  0.619796  0.007138  0.300525  1
  Fe  Fe23  1  0.786463  0.096420  0.282304  1
  Fe  Fe24  1  0.953129  0.007138  0.300525  1
  Fe  Fe25  1  0.119796  0.715112  0.309906  1
  Fe  Fe26  1  0.286463  0.629600  0.331457  1
  Fe  Fe27  1  0.119796  0.129600  0.331457  1
  Fe  Fe28  1  0.453129  0.715112  0.309906  1
  Fe  Fe29  1  0.619796  0.629600  0.331457  1
  Fe  Fe30  1  0.286463  0.215112  0.309906  1
  Fe  Fe31  1  0.453129  0.129600  0.331457  1
  Fe  Fe32  1  0.786463  0.715112  0.309906  1
  Fe  Fe33  1  0.953129  0.629600  0.331457  1
  Fe  Fe34  1  0.619796  0.215112  0.309906  1
  Fe  Fe35  1  0.786463  0.129600  0.331457  1
  Fe  Fe36  1  0.953129  0.215112  0.309906  1
  Fe  Fe37  1  0.119796  0.335636  0.341521  1
  Fe  Fe38  1  0.286463  0.422539  0.321843  1
  Fe  Fe39  1  0.119796  0.922539  0.321843  1
  Fe  Fe40  1  0.453129  0.335636  0.341521  1
  Fe  Fe41  1  0.619796  0.422539  0.321843  1
  Fe  Fe42  1  0.286463  0.835636  0.341521  1
  Fe  Fe43  1  0.453129  0.922539  0.321843  1
  Fe  Fe44  1  0.786463  0.335636  0.341521  1
  Fe  Fe45  1  0.953129  0.422539  0.321843  1
  Fe  Fe46  1  0.619796  0.835636  0.341521  1
  Fe  Fe47  1  0.786463  0.922539  0.321843  1
  Fe  Fe48  1  0.953129  0.835636  0.341521  1
  Fe  Fe49  1  0.119796  0.542403  0.351358  1
  Fe  Fe50  1  0.286463  0.455752  0.372030  1
  Fe  Fe51  1  0.119796  0.955752  0.372030  1
  Fe  Fe52  1  0.453129  0.542403  0.351358  1
  Fe  Fe53  1  0.619796  0.455752  0.372030  1
  Fe  Fe54  1  0.286463  0.042403  0.351358  1
  Fe  Fe55  1  0.453129  0.955752  0.372030  1
  Fe  Fe56  1  0.786463  0.542403  0.351358  1
  Fe  Fe57  1  0.953129  0.455752  0.372030  1
  Fe  Fe58  1  0.619796  0.042403  0.351358  1
  Fe  Fe59  1  0.786463  0.955752  0.372030  1
  Fe  Fe60  1  0.953129  0.042403  0.351358  1
  Fe  Fe61  1  0.119796  0.162500  0.381943  1
  Fe  Fe62  1  0.286463  0.248852  0.361345  1
  Fe  Fe63  1  0.119796  0.748852  0.361345  1
  Fe  Fe64  1  0.453129  0.162500  0.381943  1
  Fe  Fe65  1  0.619796  0.248852  0.361345  1
  Fe  Fe66  1  0.286463  0.662500  0.381943  1
  Fe  Fe67  1  0.453129  0.748852  0.361345  1
  Fe  Fe68  1  0.786463  0.162500  0.381943  1
  Fe  Fe69  1  0.953129  0.248852  0.361345  1
  Fe  Fe70  1  0.619796  0.662500  0.381943  1
  Fe  Fe71  1  0.786463  0.748852  0.361345  1
  Fe  Fe72  1  0.953129  0.662500  0.381943  1
  Fe  Fe73  1  0.119796  0.368992  0.392058  1
  Fe  Fe74  1  0.286463  0.282259  0.412196  1
  Fe  Fe75  1  0.119796  0.782259  0.412196  1
  Fe  Fe76  1  0.453129  0.368992  0.392058  1
  Fe  Fe77  1  0.619796  0.282259  0.412196  1
  Fe  Fe78  1  0.286463  0.868992  0.392058  1
  Fe  Fe79  1  0.453129  0.782259  0.412196  1
  Fe  Fe80  1  0.786463  0.368992  0.392058  1
  Fe  Fe81  1  0.953129  0.282259  0.412196  1
  Fe  Fe82  1  0.619796  0.868992  0.392058  1
  Fe  Fe83  1  0.786463  0.782259  0.412196  1
  Fe  Fe84  1  0.953129  0.868992  0.392058  1
  Fe  Fe85  1  0.119796  0.988984  0.422495  1
  Fe  Fe86  1  0.286463  0.075656  0.402104  1
  Fe  Fe87  1  0.119796  0.575656  0.402104  1
  Fe  Fe88  1  0.453129  0.988984  0.422495  1
  Fe  Fe89  1  0.619796  0.075656  0.402104  1
  Fe  Fe90  1  0.286463  0.488984  0.422495  1
  Fe  Fe91  1  0.453129  0.575656  0.402104  1
  Fe  Fe92  1  0.786463  0.988984  0.422495  1
  Fe  Fe93  1  0.953129  0.075656  0.402104  1
  Fe  Fe94  1  0.619796  0.488984  0.422495  1
  Fe  Fe95  1  0.786463  0.575656  0.402104  1
  Fe  Fe96  1  0.953129  0.488984  0.422495  1
  Fe  Fe97  1  0.119796  0.195661  0.432537  1
  Fe  Fe98  1  0.286463  0.108913  0.452760  1
  Fe  Fe99  1  0.119796  0.608913  0.452760  1
  Fe  Fe100  1  0.453129  0.195661  0.432537  1
  Fe  Fe101  1  0.619796  0.108913  0.452760  1
  Fe  Fe102  1  0.286463  0.695661  0.432537  1
  Fe  Fe103  1  0.453129  0.608913  0.452760  1
  Fe  Fe104  1  0.786463  0.195661  0.432537  1
  Fe  Fe105  1  0.953129  0.108913  0.452760  1
  Fe  Fe106  1  0.619796  0.695661  0.432537  1
  Fe  Fe107  1  0.786463  0.608913  0.452760  1
  Fe  Fe108  1  0.953129  0.695661  0.432537  1
  Fe  Fe109  1  0.119796  0.815556  0.462892  1
  Fe  Fe110  1  0.286463  0.902253  0.442666  1
  Fe  Fe111  1  0.119796  0.402253  0.442666  1
  Fe  Fe112  1  0.453129  0.815556  0.462892  1
  Fe  Fe113  1  0.619796  0.902253  0.442666  1
  Fe  Fe114  1  0.286463  0.315556  0.462892  1
  Fe  Fe115  1  0.453129  0.402253  0.442666  1
  Fe  Fe116  1  0.786463  0.815556  0.462892  1
  Fe  Fe117  1  0.953129  0.902253  0.442666  1
  Fe  Fe118  1  0.619796  0.315556  0.462892  1
  Fe  Fe119  1  0.786463  0.402253  0.442666  1
  Fe  Fe120  1  0.953129  0.315556  0.462892  1
  Fe  Fe121  1  0.119796  0.022225  0.473068  1
  Fe  Fe122  1  0.286463  0.935501  0.493289  1
  Fe  Fe123  1  0.119796  0.435501  0.493289  1
  Fe  Fe124  1  0.453129  0.022225  0.473068  1
  Fe  Fe125  1  0.619796  0.935501  0.493289  1
  Fe  Fe126  1  0.286463  0.522225  0.473068  1
  Fe  Fe127  1  0.453129  0.435501  0.493289  1
  Fe  Fe128  1  0.786463  0.022225  0.473068  1
  Fe  Fe129  1  0.953129  0.935501  0.493289  1
  Fe  Fe130  1  0.619796  0.522225  0.473068  1
  Fe  Fe131  1  0.786463  0.435501  0.493289  1
  Fe  Fe132  1  0.953129  0.522225  0.473068  1
  Fe  Fe133  1  0.119796  0.642160  0.503379  1
  Fe  Fe134  1  0.286463  0.728885  0.483158  1
  Fe  Fe135  1  0.119796  0.228885  0.483158  1
  Fe  Fe136  1  0.453129  0.642160  0.503379  1
  Fe  Fe137  1  0.619796  0.728885  0.483158  1
  Fe  Fe138  1  0.286463  0.142160  0.503379  1
  Fe  Fe139  1  0.453129  0.228885  0.483158  1
  Fe  Fe140  1  0.786463  0.642160  0.503379  1
  Fe  Fe141  1  0.953129  0.728885  0.483158  1
  Fe  Fe142  1  0.619796  0.142160  0.503379  1
  Fe  Fe143  1  0.786463  0.228885  0.483158  1
  Fe  Fe144  1  0.953129  0.142160  0.503379  1
  Fe  Fe145  1  0.119796  0.848830  0.513556  1
  Fe  Fe146  1  0.286463  0.762133  0.533781  1
  Fe  Fe147  1  0.119796  0.262133  0.533781  1
  Fe  Fe148  1  0.453129  0.848830  0.513556  1
  Fe  Fe149  1  0.619796  0.762133  0.533781  1
  Fe  Fe150  1  0.286463  0.348830  0.513556  1
  Fe  Fe151  1  0.453129  0.262133  0.533781  1
  Fe  Fe152  1  0.786463  0.848830  0.513556  1
  Fe  Fe153  1  0.953129  0.762133  0.533781  1
  Fe  Fe154  1  0.619796  0.348830  0.513556  1
  Fe  Fe155  1  0.786463  0.262133  0.533781  1
  Fe  Fe156  1  0.953129  0.348830  0.513556  1
  Fe  Fe157  1  0.119796  0.468725  0.543910  1
  Fe  Fe158  1  0.286463  0.555473  0.523687  1
  Fe  Fe159  1  0.119796  0.055473  0.523687  1
  Fe  Fe160  1  0.453129  0.468725  0.543910  1
  Fe  Fe161  1  0.619796  0.555473  0.523687  1
  Fe  Fe162  1  0.286463  0.968725  0.543910  1
  Fe  Fe163  1  0.453129  0.055473  0.523687  1
  Fe  Fe164  1  0.786463  0.468725  0.543910  1
  Fe  Fe165  1  0.953129  0.555473  0.523687  1
  Fe  Fe166  1  0.619796  0.968725  0.543910  1
  Fe  Fe167  1  0.786463  0.055473  0.523687  1
  Fe  Fe168  1  0.953129  0.968725  0.543910  1
  Fe  Fe169  1  0.119796  0.675402  0.553952  1
  Fe  Fe170  1  0.286463  0.588730  0.574343  1
  Fe  Fe171  1  0.119796  0.088730  0.574343  1
  Fe  Fe172  1  0.453129  0.675402  0.553952  1
  Fe  Fe173  1  0.619796  0.588730  0.574343  1
  Fe  Fe174  1  0.286463  0.175402  0.553952  1
  Fe  Fe175  1  0.453129  0.088730  0.574343  1
  Fe  Fe176  1  0.786463  0.675402  0.553952  1
  Fe  Fe177  1  0.953129  0.588730  0.574343  1
  Fe  Fe178  1  0.619796  0.175402  0.553952  1
  Fe  Fe179  1  0.786463  0.088730  0.574343  1
  Fe  Fe180  1  0.953129  0.175402  0.553952  1
  Fe  Fe181  1  0.119796  0.295394  0.584389  1
  Fe  Fe182  1  0.286463  0.382127  0.564251  1
  Fe  Fe183  1  0.119796  0.882127  0.564251  1
  Fe  Fe184  1  0.453129  0.295394  0.584389  1
  Fe  Fe185  1  0.619796  0.382127  0.564251  1
  Fe  Fe186  1  0.286463  0.795394  0.584389  1
  Fe  Fe187  1  0.453129  0.882127  0.564251  1
  Fe  Fe188  1  0.786463  0.295394  0.584389  1
  Fe  Fe189  1  0.953129  0.382127  0.564251  1
  Fe  Fe190  1  0.619796  0.795394  0.584389  1
  Fe  Fe191  1  0.786463  0.882127  0.564251  1
  Fe  Fe192  1  0.953129  0.795394  0.584389  1
  Fe  Fe193  1  0.119796  0.501886  0.594504  1
  Fe  Fe194  1  0.286463  0.415534  0.615102  1
  Fe  Fe195  1  0.119796  0.915534  0.615102  1
  Fe  Fe196  1  0.453129  0.501886  0.594504  1
  Fe  Fe197  1  0.619796  0.415534  0.615102  1
  Fe  Fe198  1  0.286463  0.001886  0.594504  1
  Fe  Fe199  1  0.453129  0.915534  0.615102  1
  Fe  Fe200  1  0.786463  0.501886  0.594504  1
  Fe  Fe201  1  0.953129  0.415534  0.615102  1
  Fe  Fe202  1  0.619796  0.001886  0.594504  1
  Fe  Fe203  1  0.786463  0.915534  0.615102  1
  Fe  Fe204  1  0.953129  0.001886  0.594504  1
  Fe  Fe205  1  0.119796  0.121983  0.625089  1
  Fe  Fe206  1  0.286463  0.208634  0.604418  1
  Fe  Fe207  1  0.119796  0.708634  0.604418  1
  Fe  Fe208  1  0.453129  0.121983  0.625089  1
  Fe  Fe209  1  0.619796  0.208634  0.604418  1
  Fe  Fe210  1  0.286463  0.621983  0.625089  1
  Fe  Fe211  1  0.453129  0.708634  0.604418  1
  Fe  Fe212  1  0.786463  0.121983  0.625089  1
  Fe  Fe213  1  0.953129  0.208634  0.604418  1
  Fe  Fe214  1  0.619796  0.621983  0.625089  1
  Fe  Fe215  1  0.786463  0.708634  0.604418  1
  Fe  Fe216  1  0.953129  0.621983  0.625089  1
  Fe  Fe217  1  0.119796  0.328749  0.634927  1
  Fe  Fe218  1  0.286463  0.241847  0.654605  1
  Fe  Fe219  1  0.119796  0.741847  0.654605  1
  Fe  Fe220  1  0.453129  0.328749  0.634927  1
  Fe  Fe221  1  0.619796  0.241847  0.654605  1
  Fe  Fe222  1  0.286463  0.828749  0.634927  1
  Fe  Fe223  1  0.453129  0.741847  0.654605  1
  Fe  Fe224  1  0.786463  0.328749  0.634927  1
  Fe  Fe225  1  0.953129  0.241847  0.654605  1
  Fe  Fe226  1  0.619796  0.828749  0.634927  1
  Fe  Fe227  1  0.786463  0.741847  0.654605  1
  Fe  Fe228  1  0.953129  0.828749  0.634927  1
  Fe  Fe229  1  0.119796  0.949274  0.666542  1
  Fe  Fe230  1  0.286463  0.034786  0.644990  1
  Fe  Fe231  1  0.119796  0.534786  0.644990  1
  Fe  Fe232  1  0.453129  0.949274  0.666542  1
  Fe  Fe233  1  0.619796  0.034786  0.644990  1
  Fe  Fe234  1  0.286463  0.449274  0.666542  1
  Fe  Fe235  1  0.453129  0.534786  0.644990  1
  Fe  Fe236  1  0.786463  0.949274  0.666542  1
  Fe  Fe237  1  0.953129  0.034786  0.644990  1
  Fe  Fe238  1  0.619796  0.449274  0.666542  1
  Fe  Fe239  1  0.786463  0.534786  0.644990  1
  Fe  Fe240  1  0.953129  0.449274  0.666542  1
  Fe  Fe241  1  0.119796  0.157248  0.675922  1
  Fe  Fe242  1  0.286463  0.067966  0.694143  1
  Fe  Fe243  1  0.119796  0.567966  0.694143  1
  Fe  Fe244  1  0.453129  0.157248  0.675922  1
  Fe  Fe245  1  0.619796  0.067966  0.694143  1
  Fe  Fe246  1  0.286463  0.657248  0.675922  1
  Fe  Fe247  1  0.453129  0.567966  0.694143  1
  Fe  Fe248  1  0.786463  0.157248  0.675922  1
  Fe  Fe249  1  0.953129  0.067966  0.694143  1
  Fe  Fe250  1  0.619796  0.657248  0.675922  1
  Fe  Fe251  1  0.786463  0.567966  0.694143  1
  Fe  Fe252  1  0.953129  0.657248  0.675922  1
  Fe  Fe253  1  0.119796  0.772950  0.703031  1
  Fe  Fe254  1  0.286463  0.861272  0.685110  1
  Fe  Fe255  1  0.119796  0.361272  0.685110  1
  Fe  Fe256  1  0.453129  0.772950  0.703031  1
  Fe  Fe257  1  0.619796  0.861272  0.685110  1
  Fe  Fe258  1  0.286463  0.272950  0.703031  1
  Fe  Fe259  1  0.453129  0.361272  0.685110  1
  Fe  Fe260  1  0.786463  0.772950  0.703031  1
  Fe  Fe261  1  0.953129  0.861272  0.685110  1
  Fe  Fe262  1  0.619796  0.272950  0.703031  1
  Fe  Fe263  1  0.786463  0.361272  0.685110  1
  Fe  Fe264  1  0.953129  0.272950  0.703031  1
