# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.23332678
_cell_length_b   11.67646859
_cell_length_c   48.64599810
_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   6948.69438237
_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  0.139896  0.832667  0.273769  1
  Fe  Fe2  1  0.306563  0.746478  0.293298  1
  Fe  Fe3  1  0.139896  0.246478  0.293298  1
  Fe  Fe4  1  0.473229  0.832667  0.273769  1
  Fe  Fe5  1  0.639896  0.746478  0.293298  1
  Fe  Fe6  1  0.306563  0.332667  0.273769  1
  Fe  Fe7  1  0.473229  0.246478  0.293298  1
  Fe  Fe8  1  0.806563  0.832667  0.273769  1
  Fe  Fe9  1  0.973229  0.746478  0.293298  1
  Fe  Fe10  1  0.639896  0.332667  0.273769  1
  Fe  Fe11  1  0.806563  0.246478  0.293298  1
  Fe  Fe12  1  0.973229  0.332667  0.273769  1
  Fe  Fe13  1  0.139896  0.450484  0.302195  1
  Fe  Fe14  1  0.306563  0.541815  0.283009  1
  Fe  Fe15  1  0.139896  0.041815  0.283009  1
  Fe  Fe16  1  0.473229  0.450484  0.302195  1
  Fe  Fe17  1  0.639896  0.541815  0.283009  1
  Fe  Fe18  1  0.306563  0.950484  0.302195  1
  Fe  Fe19  1  0.473229  0.041815  0.283009  1
  Fe  Fe20  1  0.806563  0.450484  0.302195  1
  Fe  Fe21  1  0.973229  0.541815  0.283009  1
  Fe  Fe22  1  0.639896  0.950484  0.302195  1
  Fe  Fe23  1  0.806563  0.041815  0.283009  1
  Fe  Fe24  1  0.973229  0.950484  0.302195  1
  Fe  Fe25  1  0.139896  0.657079  0.311988  1
  Fe  Fe26  1  0.306563  0.570342  0.332961  1
  Fe  Fe27  1  0.139896  0.070342  0.332961  1
  Fe  Fe28  1  0.473229  0.657079  0.311988  1
  Fe  Fe29  1  0.639896  0.570342  0.332961  1
  Fe  Fe30  1  0.306563  0.157079  0.311988  1
  Fe  Fe31  1  0.473229  0.070342  0.332961  1
  Fe  Fe32  1  0.806563  0.657079  0.311988  1
  Fe  Fe33  1  0.973229  0.570342  0.332961  1
  Fe  Fe34  1  0.639896  0.157079  0.311988  1
  Fe  Fe35  1  0.806563  0.070342  0.332961  1
  Fe  Fe36  1  0.973229  0.157079  0.311988  1
  Fe  Fe37  1  0.139896  0.276292  0.343000  1
  Fe  Fe38  1  0.306563  0.364441  0.323257  1
  Fe  Fe39  1  0.139896  0.864441  0.323257  1
  Fe  Fe40  1  0.473229  0.276292  0.343000  1
  Fe  Fe41  1  0.639896  0.364441  0.323257  1
  Fe  Fe42  1  0.306563  0.776292  0.343000  1
  Fe  Fe43  1  0.473229  0.864441  0.323257  1
  Fe  Fe44  1  0.806563  0.276292  0.343000  1
  Fe  Fe45  1  0.973229  0.364441  0.323257  1
  Fe  Fe46  1  0.639896  0.776292  0.343000  1
  Fe  Fe47  1  0.806563  0.864441  0.323257  1
  Fe  Fe48  1  0.973229  0.776292  0.343000  1
  Fe  Fe49  1  0.139896  0.482520  0.352733  1
  Fe  Fe50  1  0.306563  0.395043  0.373197  1
  Fe  Fe51  1  0.139896  0.895043  0.373197  1
  Fe  Fe52  1  0.473229  0.482520  0.352733  1
  Fe  Fe53  1  0.639896  0.395043  0.373197  1
  Fe  Fe54  1  0.306563  0.982520  0.352733  1
  Fe  Fe55  1  0.473229  0.895043  0.373197  1
  Fe  Fe56  1  0.806563  0.482520  0.352733  1
  Fe  Fe57  1  0.973229  0.395043  0.373197  1
  Fe  Fe58  1  0.639896  0.982520  0.352733  1
  Fe  Fe59  1  0.806563  0.895043  0.373197  1
  Fe  Fe60  1  0.973229  0.982520  0.352733  1
  Fe  Fe61  1  0.139896  0.101300  0.383102  1
  Fe  Fe62  1  0.306563  0.188543  0.362734  1
  Fe  Fe63  1  0.139896  0.688543  0.362734  1
  Fe  Fe64  1  0.473229  0.101300  0.383102  1
  Fe  Fe65  1  0.639896  0.188543  0.362734  1
  Fe  Fe66  1  0.306563  0.601300  0.383102  1
  Fe  Fe67  1  0.473229  0.688543  0.362734  1
  Fe  Fe68  1  0.806563  0.101300  0.383102  1
  Fe  Fe69  1  0.973229  0.188543  0.362734  1
  Fe  Fe70  1  0.639896  0.601300  0.383102  1
  Fe  Fe71  1  0.806563  0.688543  0.362734  1
  Fe  Fe72  1  0.973229  0.601300  0.383102  1
  Fe  Fe73  1  0.139896  0.307391  0.393160  1
  Fe  Fe74  1  0.306563  0.219755  0.413164  1
  Fe  Fe75  1  0.139896  0.719755  0.413164  1
  Fe  Fe76  1  0.473229  0.307391  0.393160  1
  Fe  Fe77  1  0.639896  0.219755  0.413164  1
  Fe  Fe78  1  0.306563  0.807391  0.393160  1
  Fe  Fe79  1  0.473229  0.719755  0.413164  1
  Fe  Fe80  1  0.806563  0.307391  0.393160  1
  Fe  Fe81  1  0.973229  0.219755  0.413164  1
  Fe  Fe82  1  0.639896  0.807391  0.393160  1
  Fe  Fe83  1  0.806563  0.719755  0.413164  1
  Fe  Fe84  1  0.973229  0.807391  0.393160  1
  Fe  Fe85  1  0.139896  0.926067  0.423344  1
  Fe  Fe86  1  0.306563  0.013596  0.403120  1
  Fe  Fe87  1  0.139896  0.513596  0.403120  1
  Fe  Fe88  1  0.473229  0.926067  0.423344  1
  Fe  Fe89  1  0.639896  0.013596  0.403120  1
  Fe  Fe90  1  0.306563  0.426067  0.423344  1
  Fe  Fe91  1  0.473229  0.513596  0.403120  1
  Fe  Fe92  1  0.806563  0.926067  0.423344  1
  Fe  Fe93  1  0.973229  0.013596  0.403120  1
  Fe  Fe94  1  0.639896  0.426067  0.423344  1
  Fe  Fe95  1  0.806563  0.513596  0.403120  1
  Fe  Fe96  1  0.973229  0.426067  0.423344  1
  Fe  Fe97  1  0.139896  0.132284  0.433339  1
  Fe  Fe98  1  0.306563  0.044667  0.453418  1
  Fe  Fe99  1  0.139896  0.544667  0.453418  1
  Fe  Fe100  1  0.473229  0.132284  0.433339  1
  Fe  Fe101  1  0.639896  0.044667  0.453418  1
  Fe  Fe102  1  0.306563  0.632284  0.433339  1
  Fe  Fe103  1  0.473229  0.544667  0.453418  1
  Fe  Fe104  1  0.806563  0.132284  0.433339  1
  Fe  Fe105  1  0.973229  0.044667  0.453418  1
  Fe  Fe106  1  0.639896  0.632284  0.433339  1
  Fe  Fe107  1  0.806563  0.544667  0.453418  1
  Fe  Fe108  1  0.973229  0.632284  0.433339  1
  Fe  Fe109  1  0.139896  0.750872  0.463480  1
  Fe  Fe110  1  0.306563  0.838452  0.443398  1
  Fe  Fe111  1  0.139896  0.338452  0.443398  1
  Fe  Fe112  1  0.473229  0.750872  0.463480  1
  Fe  Fe113  1  0.639896  0.838452  0.443398  1
  Fe  Fe114  1  0.306563  0.250872  0.463480  1
  Fe  Fe115  1  0.473229  0.338452  0.443398  1
  Fe  Fe116  1  0.806563  0.750872  0.463480  1
  Fe  Fe117  1  0.973229  0.838452  0.443398  1
  Fe  Fe118  1  0.639896  0.250872  0.463480  1
  Fe  Fe119  1  0.806563  0.338452  0.443398  1
  Fe  Fe120  1  0.973229  0.250872  0.463480  1
  Fe  Fe121  1  0.139896  0.957110  0.473572  1
  Fe  Fe122  1  0.306563  0.869512  0.493655  1
  Fe  Fe123  1  0.139896  0.369512  0.493655  1
  Fe  Fe124  1  0.473229  0.957110  0.473572  1
  Fe  Fe125  1  0.639896  0.869512  0.493655  1
  Fe  Fe126  1  0.306563  0.457110  0.473572  1
  Fe  Fe127  1  0.473229  0.369512  0.493655  1
  Fe  Fe128  1  0.806563  0.957110  0.473572  1
  Fe  Fe129  1  0.973229  0.869512  0.493655  1
  Fe  Fe130  1  0.639896  0.457110  0.473572  1
  Fe  Fe131  1  0.806563  0.369512  0.493655  1
  Fe  Fe132  1  0.973229  0.457110  0.473572  1
  Fe  Fe133  1  0.139896  0.575726  0.503681  1
  Fe  Fe134  1  0.306563  0.663324  0.483597  1
  Fe  Fe135  1  0.139896  0.163324  0.483597  1
  Fe  Fe136  1  0.473229  0.575726  0.503681  1
  Fe  Fe137  1  0.639896  0.663324  0.483597  1
  Fe  Fe138  1  0.306563  0.075726  0.503681  1
  Fe  Fe139  1  0.473229  0.163324  0.483597  1
  Fe  Fe140  1  0.806563  0.575726  0.503681  1
  Fe  Fe141  1  0.973229  0.663324  0.483597  1
  Fe  Fe142  1  0.639896  0.075726  0.503681  1
  Fe  Fe143  1  0.806563  0.163324  0.483597  1
  Fe  Fe144  1  0.973229  0.075726  0.503681  1
  Fe  Fe145  1  0.139896  0.781964  0.513773  1
  Fe  Fe146  1  0.306563  0.694384  0.533854  1
  Fe  Fe147  1  0.139896  0.194384  0.533854  1
  Fe  Fe148  1  0.473229  0.781964  0.513773  1
  Fe  Fe149  1  0.639896  0.694384  0.533854  1
  Fe  Fe150  1  0.306563  0.281964  0.513773  1
  Fe  Fe151  1  0.473229  0.194384  0.533854  1
  Fe  Fe152  1  0.806563  0.781964  0.513773  1
  Fe  Fe153  1  0.973229  0.694384  0.533854  1
  Fe  Fe154  1  0.639896  0.281964  0.513773  1
  Fe  Fe155  1  0.806563  0.194384  0.533854  1
  Fe  Fe156  1  0.973229  0.281964  0.513773  1
  Fe  Fe157  1  0.139896  0.400553  0.543913  1
  Fe  Fe158  1  0.306563  0.488169  0.523834  1
  Fe  Fe159  1  0.139896  0.988169  0.523834  1
  Fe  Fe160  1  0.473229  0.400553  0.543913  1
  Fe  Fe161  1  0.639896  0.488169  0.523834  1
  Fe  Fe162  1  0.306563  0.900553  0.543913  1
  Fe  Fe163  1  0.473229  0.988169  0.523834  1
  Fe  Fe164  1  0.806563  0.400553  0.543913  1
  Fe  Fe165  1  0.973229  0.488169  0.523834  1
  Fe  Fe166  1  0.639896  0.900553  0.543913  1
  Fe  Fe167  1  0.806563  0.988169  0.523834  1
  Fe  Fe168  1  0.973229  0.900553  0.543913  1
  Fe  Fe169  1  0.139896  0.606770  0.553909  1
  Fe  Fe170  1  0.306563  0.519241  0.574133  1
  Fe  Fe171  1  0.139896  0.019241  0.574133  1
  Fe  Fe172  1  0.473229  0.606770  0.553909  1
  Fe  Fe173  1  0.639896  0.519241  0.574133  1
  Fe  Fe174  1  0.306563  0.106770  0.553909  1
  Fe  Fe175  1  0.473229  0.019241  0.574133  1
  Fe  Fe176  1  0.806563  0.606770  0.553909  1
  Fe  Fe177  1  0.973229  0.519241  0.574133  1
  Fe  Fe178  1  0.639896  0.106770  0.553909  1
  Fe  Fe179  1  0.806563  0.019241  0.574133  1
  Fe  Fe180  1  0.973229  0.106770  0.553909  1
  Fe  Fe181  1  0.139896  0.225446  0.584093  1
  Fe  Fe182  1  0.306563  0.313082  0.564089  1
  Fe  Fe183  1  0.139896  0.813082  0.564089  1
  Fe  Fe184  1  0.473229  0.225446  0.584093  1
  Fe  Fe185  1  0.639896  0.313082  0.564089  1
  Fe  Fe186  1  0.306563  0.725446  0.584093  1
  Fe  Fe187  1  0.473229  0.813082  0.564089  1
  Fe  Fe188  1  0.806563  0.225446  0.584093  1
  Fe  Fe189  1  0.973229  0.313082  0.564089  1
  Fe  Fe190  1  0.639896  0.725446  0.584093  1
  Fe  Fe191  1  0.806563  0.813082  0.564089  1
  Fe  Fe192  1  0.973229  0.725446  0.584093  1
  Fe  Fe193  1  0.139896  0.431536  0.594151  1
  Fe  Fe194  1  0.306563  0.344293  0.614518  1
  Fe  Fe195  1  0.139896  0.844293  0.614518  1
  Fe  Fe196  1  0.473229  0.431536  0.594151  1
  Fe  Fe197  1  0.639896  0.344293  0.614518  1
  Fe  Fe198  1  0.306563  0.931536  0.594151  1
  Fe  Fe199  1  0.473229  0.844293  0.614518  1
  Fe  Fe200  1  0.806563  0.431536  0.594151  1
  Fe  Fe201  1  0.973229  0.344293  0.614518  1
  Fe  Fe202  1  0.639896  0.931536  0.594151  1
  Fe  Fe203  1  0.806563  0.844293  0.614518  1
  Fe  Fe204  1  0.973229  0.931536  0.594151  1
  Fe  Fe205  1  0.139896  0.050317  0.624519  1
  Fe  Fe206  1  0.306563  0.137794  0.604055  1
  Fe  Fe207  1  0.139896  0.637794  0.604055  1
  Fe  Fe208  1  0.473229  0.050317  0.624519  1
  Fe  Fe209  1  0.639896  0.137794  0.604055  1
  Fe  Fe210  1  0.306563  0.550317  0.624519  1
  Fe  Fe211  1  0.473229  0.637794  0.604055  1
  Fe  Fe212  1  0.806563  0.050317  0.624519  1
  Fe  Fe213  1  0.973229  0.137794  0.604055  1
  Fe  Fe214  1  0.639896  0.550317  0.624519  1
  Fe  Fe215  1  0.806563  0.637794  0.604055  1
  Fe  Fe216  1  0.973229  0.550317  0.624519  1
  Fe  Fe217  1  0.139896  0.256544  0.634253  1
  Fe  Fe218  1  0.306563  0.168395  0.653995  1
  Fe  Fe219  1  0.139896  0.668395  0.653995  1
  Fe  Fe220  1  0.473229  0.256544  0.634253  1
  Fe  Fe221  1  0.639896  0.168395  0.653995  1
  Fe  Fe222  1  0.306563  0.756544  0.634253  1
  Fe  Fe223  1  0.473229  0.668395  0.653995  1
  Fe  Fe224  1  0.806563  0.256544  0.634253  1
  Fe  Fe225  1  0.973229  0.168395  0.653995  1
  Fe  Fe226  1  0.639896  0.756544  0.634253  1
  Fe  Fe227  1  0.806563  0.668395  0.653995  1
  Fe  Fe228  1  0.973229  0.756544  0.634253  1
  Fe  Fe229  1  0.139896  0.875757  0.665265  1
  Fe  Fe230  1  0.306563  0.962494  0.644291  1
  Fe  Fe231  1  0.139896  0.462494  0.644291  1
  Fe  Fe232  1  0.473229  0.875757  0.665265  1
  Fe  Fe233  1  0.639896  0.962494  0.644291  1
  Fe  Fe234  1  0.306563  0.375757  0.665265  1
  Fe  Fe235  1  0.473229  0.462494  0.644291  1
  Fe  Fe236  1  0.806563  0.875757  0.665265  1
  Fe  Fe237  1  0.973229  0.962494  0.644291  1
  Fe  Fe238  1  0.639896  0.375757  0.665265  1
  Fe  Fe239  1  0.806563  0.462494  0.644291  1
  Fe  Fe240  1  0.973229  0.375757  0.665265  1
  Fe  Fe241  1  0.139896  0.082352  0.675057  1
  Fe  Fe242  1  0.306563  -0.008979  0.694243  1
  Fe  Fe243  1  0.139896  0.491021  0.694243  1
  Fe  Fe244  1  0.473229  0.082352  0.675057  1
  Fe  Fe245  1  0.639896  -0.008979  0.694243  1
  Fe  Fe246  1  0.306563  0.582352  0.675057  1
  Fe  Fe247  1  0.473229  0.491021  0.694243  1
  Fe  Fe248  1  0.806563  0.082352  0.675057  1
  Fe  Fe249  1  0.973229  -0.008979  0.694243  1
  Fe  Fe250  1  0.639896  0.582352  0.675057  1
  Fe  Fe251  1  0.806563  0.491021  0.694243  1
  Fe  Fe252  1  0.973229  0.582352  0.675057  1
  Fe  Fe253  1  0.139896  0.700169  0.703483  1
  Fe  Fe254  1  0.306563  0.786359  0.683955  1
  Fe  Fe255  1  0.139896  0.286359  0.683955  1
  Fe  Fe256  1  0.473229  0.700169  0.703483  1
  Fe  Fe257  1  0.639896  0.786359  0.683955  1
  Fe  Fe258  1  0.306563  0.200169  0.703483  1
  Fe  Fe259  1  0.473229  0.286359  0.683955  1
  Fe  Fe260  1  0.806563  0.700169  0.703483  1
  Fe  Fe261  1  0.973229  0.786359  0.683955  1
  Fe  Fe262  1  0.639896  0.200169  0.703483  1
  Fe  Fe263  1  0.806563  0.286359  0.683955  1
  Fe  Fe264  1  0.973229  0.200169  0.703483  1
