# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.40024214
_cell_length_b   11.39989138
_cell_length_c   47.63582843
_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   7276.91131377
_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  0.060300  0.760585  0.285839  1
  Fe  Fe2  1  0.226763  0.683015  0.303345  1
  Fe  Fe3  1  0.060096  0.183015  0.303345  1
  Fe  Fe4  1  0.393633  0.760585  0.285839  1
  Fe  Fe5  1  0.560096  0.683015  0.303345  1
  Fe  Fe6  1  0.226967  0.260585  0.285839  1
  Fe  Fe7  1  0.393429  0.183015  0.303345  1
  Fe  Fe8  1  0.726967  0.760585  0.285839  1
  Fe  Fe9  1  0.893429  0.683015  0.303345  1
  Fe  Fe10  1  0.560300  0.260585  0.285839  1
  Fe  Fe11  1  0.726763  0.183015  0.303345  1
  Fe  Fe12  1  0.893633  0.260585  0.285839  1
  Fe  Fe13  1  0.114324  0.395926  0.313089  1
  Fe  Fe14  1  0.281312  0.471145  0.294534  1
  Fe  Fe15  1  0.114645  0.971145  0.294534  1
  Fe  Fe16  1  0.447658  0.395926  0.313089  1
  Fe  Fe17  1  0.614645  0.471145  0.294534  1
  Fe  Fe18  1  0.280991  0.895926  0.313089  1
  Fe  Fe19  1  0.447978  0.971145  0.294534  1
  Fe  Fe20  1  0.780991  0.395926  0.313089  1
  Fe  Fe21  1  0.947978  0.471145  0.294534  1
  Fe  Fe22  1  0.614324  0.895926  0.313089  1
  Fe  Fe23  1  0.781312  0.971145  0.294534  1
  Fe  Fe24  1  0.947658  0.895926  0.313089  1
  Fe  Fe25  1  0.060910  0.605720  0.323433  1
  Fe  Fe26  1  0.226946  0.529580  0.343389  1
  Fe  Fe27  1  0.060279  0.029580  0.343389  1
  Fe  Fe28  1  0.394243  0.605720  0.323433  1
  Fe  Fe29  1  0.560279  0.529580  0.343389  1
  Fe  Fe30  1  0.227577  0.105720  0.323433  1
  Fe  Fe31  1  0.393613  0.029580  0.343389  1
  Fe  Fe32  1  0.727577  0.605720  0.323433  1
  Fe  Fe33  1  0.893613  0.529580  0.343389  1
  Fe  Fe34  1  0.560910  0.105720  0.323433  1
  Fe  Fe35  1  0.726946  0.029580  0.343389  1
  Fe  Fe36  1  0.894243  0.105720  0.323433  1
  Fe  Fe37  1  0.116860  0.241037  0.352722  1
  Fe  Fe38  1  0.283388  0.318776  0.334003  1
  Fe  Fe39  1  0.116721  0.818776  0.334003  1
  Fe  Fe40  1  0.450193  0.241037  0.352722  1
  Fe  Fe41  1  0.616721  0.318776  0.334003  1
  Fe  Fe42  1  0.283526  0.741037  0.352722  1
  Fe  Fe43  1  0.450054  0.818776  0.334003  1
  Fe  Fe44  1  0.783526  0.241037  0.352722  1
  Fe  Fe45  1  0.950054  0.318776  0.334003  1
  Fe  Fe46  1  0.616860  0.741037  0.352722  1
  Fe  Fe47  1  0.783388  0.818776  0.334003  1
  Fe  Fe48  1  0.950193  0.741037  0.352722  1
  Fe  Fe49  1  0.061262  0.452095  0.363445  1
  Fe  Fe50  1  0.227270  0.374437  0.383545  1
  Fe  Fe51  1  0.060604  0.874437  0.383545  1
  Fe  Fe52  1  0.394595  0.452095  0.363445  1
  Fe  Fe53  1  0.560604  0.374437  0.383545  1
  Fe  Fe54  1  0.227929  0.952095  0.363445  1
  Fe  Fe55  1  0.393937  0.874437  0.383545  1
  Fe  Fe56  1  0.727929  0.452095  0.363445  1
  Fe  Fe57  1  0.893937  0.374437  0.383545  1
  Fe  Fe58  1  0.561262  0.952095  0.363445  1
  Fe  Fe59  1  0.727270  0.874437  0.383545  1
  Fe  Fe60  1  0.894595  0.952095  0.363445  1
  Fe  Fe61  1  0.116124  0.085687  0.393314  1
  Fe  Fe62  1  0.282826  0.163356  0.373354  1
  Fe  Fe63  1  0.116160  0.663356  0.373354  1
  Fe  Fe64  1  0.449457  0.085687  0.393314  1
  Fe  Fe65  1  0.616160  0.163356  0.373354  1
  Fe  Fe66  1  0.282791  0.585687  0.393314  1
  Fe  Fe67  1  0.449493  0.663356  0.373354  1
  Fe  Fe68  1  0.782791  0.085687  0.393314  1
  Fe  Fe69  1  0.949493  0.163356  0.373354  1
  Fe  Fe70  1  0.616124  0.585687  0.393314  1
  Fe  Fe71  1  0.782826  0.663356  0.373354  1
  Fe  Fe72  1  0.949457  0.585687  0.393314  1
  Fe  Fe73  1  0.060993  0.296494  0.403325  1
  Fe  Fe74  1  0.227544  0.218757  0.423471  1
  Fe  Fe75  1  0.060878  0.718757  0.423471  1
  Fe  Fe76  1  0.394327  0.296494  0.403325  1
  Fe  Fe77  1  0.560878  0.218757  0.423471  1
  Fe  Fe78  1  0.227660  0.796494  0.403325  1
  Fe  Fe79  1  0.394211  0.718757  0.423471  1
  Fe  Fe80  1  0.727660  0.296494  0.403325  1
  Fe  Fe81  1  0.894211  0.218757  0.423471  1
  Fe  Fe82  1  0.560993  0.796494  0.403325  1
  Fe  Fe83  1  0.727544  0.718757  0.423471  1
  Fe  Fe84  1  0.894327  0.796494  0.403325  1
  Fe  Fe85  1  0.116159  0.929771  0.433530  1
  Fe  Fe86  1  0.282660  0.007782  0.413551  1
  Fe  Fe87  1  0.115993  0.507782  0.413551  1
  Fe  Fe88  1  0.449493  0.929771  0.433530  1
  Fe  Fe89  1  0.615993  0.007782  0.413551  1
  Fe  Fe90  1  0.282826  0.429771  0.433530  1
  Fe  Fe91  1  0.449327  0.507782  0.413551  1
  Fe  Fe92  1  0.782826  0.929771  0.433530  1
  Fe  Fe93  1  0.949327  0.007782  0.413551  1
  Fe  Fe94  1  0.616159  0.429771  0.433530  1
  Fe  Fe95  1  0.782660  0.507782  0.413551  1
  Fe  Fe96  1  0.949493  0.429771  0.433530  1
  Fe  Fe97  1  0.060974  0.140836  0.443530  1
  Fe  Fe98  1  0.227575  0.062942  0.463638  1
  Fe  Fe99  1  0.060909  0.562942  0.463638  1
  Fe  Fe100  1  0.394308  0.140836  0.443530  1
  Fe  Fe101  1  0.560909  0.062942  0.463638  1
  Fe  Fe102  1  0.227641  0.640836  0.443530  1
  Fe  Fe103  1  0.394242  0.562942  0.463638  1
  Fe  Fe104  1  0.727641  0.140836  0.443530  1
  Fe  Fe105  1  0.894242  0.062942  0.463638  1
  Fe  Fe106  1  0.560974  0.640836  0.443530  1
  Fe  Fe107  1  0.727575  0.562942  0.463638  1
  Fe  Fe108  1  0.894308  0.640836  0.443530  1
  Fe  Fe109  1  0.116061  0.773940  0.473625  1
  Fe  Fe110  1  0.282699  0.851834  0.453563  1
  Fe  Fe111  1  0.116033  0.351834  0.453563  1
  Fe  Fe112  1  0.449394  0.773940  0.473625  1
  Fe  Fe113  1  0.616033  0.851834  0.453563  1
  Fe  Fe114  1  0.282727  0.273940  0.473625  1
  Fe  Fe115  1  0.449366  0.351834  0.453563  1
  Fe  Fe116  1  0.782727  0.773940  0.473625  1
  Fe  Fe117  1  0.949366  0.851834  0.453563  1
  Fe  Fe118  1  0.616061  0.273940  0.473625  1
  Fe  Fe119  1  0.782699  0.351834  0.453563  1
  Fe  Fe120  1  0.949394  0.273940  0.473625  1
  Fe  Fe121  1  0.060898  0.984953  0.483661  1
  Fe  Fe122  1  0.227601  0.907031  0.503724  1
  Fe  Fe123  1  0.060934  0.407031  0.503724  1
  Fe  Fe124  1  0.394231  0.984953  0.483661  1
  Fe  Fe125  1  0.560934  0.907031  0.503724  1
  Fe  Fe126  1  0.227564  0.484953  0.483661  1
  Fe  Fe127  1  0.394267  0.407031  0.503724  1
  Fe  Fe128  1  0.727564  0.984953  0.483661  1
  Fe  Fe129  1  0.894267  0.907031  0.503724  1
  Fe  Fe130  1  0.560898  0.484953  0.483661  1
  Fe  Fe131  1  0.727601  0.407031  0.503724  1
  Fe  Fe132  1  0.894231  0.484953  0.483661  1
  Fe  Fe133  1  0.116072  0.618107  0.513762  1
  Fe  Fe134  1  0.282702  0.696029  0.493698  1
  Fe  Fe135  1  0.116036  0.196029  0.493698  1
  Fe  Fe136  1  0.449405  0.618107  0.513762  1
  Fe  Fe137  1  0.616036  0.696029  0.493698  1
  Fe  Fe138  1  0.282739  0.118107  0.513762  1
  Fe  Fe139  1  0.449369  0.196029  0.493698  1
  Fe  Fe140  1  0.782739  0.618107  0.513762  1
  Fe  Fe141  1  0.949369  0.696029  0.493698  1
  Fe  Fe142  1  0.616072  0.118107  0.513762  1
  Fe  Fe143  1  0.782702  0.196029  0.493698  1
  Fe  Fe144  1  0.949405  0.118107  0.513762  1
  Fe  Fe145  1  0.060909  0.829120  0.523797  1
  Fe  Fe146  1  0.227604  0.751226  0.543860  1
  Fe  Fe147  1  0.060937  0.251226  0.543860  1
  Fe  Fe148  1  0.394242  0.829120  0.523797  1
  Fe  Fe149  1  0.560937  0.751226  0.543860  1
  Fe  Fe150  1  0.227575  0.329120  0.523797  1
  Fe  Fe151  1  0.394270  0.251226  0.543860  1
  Fe  Fe152  1  0.727575  0.829120  0.523797  1
  Fe  Fe153  1  0.894270  0.751226  0.543860  1
  Fe  Fe154  1  0.560909  0.329120  0.523797  1
  Fe  Fe155  1  0.727604  0.251226  0.543860  1
  Fe  Fe156  1  0.894242  0.329120  0.523797  1
  Fe  Fe157  1  0.115995  0.462224  0.553892  1
  Fe  Fe158  1  0.282728  0.540118  0.533785  1
  Fe  Fe159  1  0.116061  0.040118  0.533785  1
  Fe  Fe160  1  0.449329  0.462224  0.553892  1
  Fe  Fe161  1  0.616061  0.540118  0.533785  1
  Fe  Fe162  1  0.282662  0.962224  0.553892  1
  Fe  Fe163  1  0.449394  0.040118  0.533785  1
  Fe  Fe164  1  0.782662  0.462224  0.553892  1
  Fe  Fe165  1  0.949394  0.540118  0.533785  1
  Fe  Fe166  1  0.615995  0.962224  0.553892  1
  Fe  Fe167  1  0.782728  0.040118  0.533785  1
  Fe  Fe168  1  0.949329  0.962224  0.553892  1
  Fe  Fe169  1  0.060810  0.673289  0.563893  1
  Fe  Fe170  1  0.227643  0.595278  0.583871  1
  Fe  Fe171  1  0.060976  0.095278  0.583871  1
  Fe  Fe172  1  0.394143  0.673289  0.563893  1
  Fe  Fe173  1  0.560976  0.595278  0.583871  1
  Fe  Fe174  1  0.227477  0.173289  0.563893  1
  Fe  Fe175  1  0.394309  0.095278  0.583871  1
  Fe  Fe176  1  0.727477  0.673289  0.563893  1
  Fe  Fe177  1  0.894309  0.595278  0.583871  1
  Fe  Fe178  1  0.560810  0.173289  0.563893  1
  Fe  Fe179  1  0.727643  0.095278  0.583871  1
  Fe  Fe180  1  0.894143  0.173289  0.563893  1
  Fe  Fe181  1  0.115976  0.306566  0.594097  1
  Fe  Fe182  1  0.282758  0.384303  0.573952  1
  Fe  Fe183  1  0.116092  0.884303  0.573952  1
  Fe  Fe184  1  0.449309  0.306566  0.594097  1
  Fe  Fe185  1  0.616092  0.384303  0.573952  1
  Fe  Fe186  1  0.282643  0.806566  0.594097  1
  Fe  Fe187  1  0.449425  0.884303  0.573952  1
  Fe  Fe188  1  0.782643  0.306566  0.594097  1
  Fe  Fe189  1  0.949425  0.384303  0.573952  1
  Fe  Fe190  1  0.615976  0.806566  0.594097  1
  Fe  Fe191  1  0.782758  0.884303  0.573952  1
  Fe  Fe192  1  0.949309  0.806566  0.594097  1
  Fe  Fe193  1  0.060845  0.517373  0.604108  1
  Fe  Fe194  1  0.227476  0.439704  0.624069  1
  Fe  Fe195  1  0.060810  0.939704  0.624069  1
  Fe  Fe196  1  0.394179  0.517373  0.604108  1
  Fe  Fe197  1  0.560810  0.439704  0.624069  1
  Fe  Fe198  1  0.227512  0.017373  0.604108  1
  Fe  Fe199  1  0.394143  0.939704  0.624069  1
  Fe  Fe200  1  0.727512  0.517373  0.604108  1
  Fe  Fe201  1  0.894143  0.439704  0.624069  1
  Fe  Fe202  1  0.560845  0.017373  0.604108  1
  Fe  Fe203  1  0.727476  0.939704  0.624069  1
  Fe  Fe204  1  0.894179  0.017373  0.604108  1
  Fe  Fe205  1  0.115708  0.150965  0.633978  1
  Fe  Fe206  1  0.283033  0.228623  0.613877  1
  Fe  Fe207  1  0.116366  0.728623  0.613877  1
  Fe  Fe208  1  0.449041  0.150965  0.633978  1
  Fe  Fe209  1  0.616366  0.228623  0.613877  1
  Fe  Fe210  1  0.282374  0.650965  0.633978  1
  Fe  Fe211  1  0.449699  0.728623  0.613877  1
  Fe  Fe212  1  0.782374  0.150965  0.633978  1
  Fe  Fe213  1  0.949699  0.228623  0.613877  1
  Fe  Fe214  1  0.615708  0.650965  0.633978  1
  Fe  Fe215  1  0.783033  0.728623  0.613877  1
  Fe  Fe216  1  0.949041  0.650965  0.633978  1
  Fe  Fe217  1  0.060110  0.362023  0.644700  1
  Fe  Fe218  1  0.226915  0.284284  0.663419  1
  Fe  Fe219  1  0.060249  0.784284  0.663419  1
  Fe  Fe220  1  0.393443  0.362023  0.644700  1
  Fe  Fe221  1  0.560249  0.284284  0.663419  1
  Fe  Fe222  1  0.226776  0.862023  0.644700  1
  Fe  Fe223  1  0.393582  0.784284  0.663419  1
  Fe  Fe224  1  0.726776  0.362023  0.644700  1
  Fe  Fe225  1  0.893582  0.284284  0.663419  1
  Fe  Fe226  1  0.560110  0.862023  0.644700  1
  Fe  Fe227  1  0.726915  0.784284  0.663419  1
  Fe  Fe228  1  0.893443  0.862023  0.644700  1
  Fe  Fe229  1  0.116060  0.997340  0.673990  1
  Fe  Fe230  1  0.283357  0.073480  0.654034  1
  Fe  Fe231  1  0.116690  0.573480  0.654034  1
  Fe  Fe232  1  0.449393  0.997340  0.673990  1
  Fe  Fe233  1  0.616690  0.073480  0.654034  1
  Fe  Fe234  1  0.282726  0.497340  0.673990  1
  Fe  Fe235  1  0.450023  0.573480  0.654034  1
  Fe  Fe236  1  0.782726  0.997340  0.673990  1
  Fe  Fe237  1  0.950023  0.073480  0.654034  1
  Fe  Fe238  1  0.616060  0.497340  0.673990  1
  Fe  Fe239  1  0.783357  0.573480  0.654034  1
  Fe  Fe240  1  0.949393  0.497340  0.673990  1
  Fe  Fe241  1  0.062645  0.207134  0.684334  1
  Fe  Fe242  1  0.228991  0.131915  0.702889  1
  Fe  Fe243  1  0.062325  0.631915  0.702889  1
  Fe  Fe244  1  0.395978  0.207134  0.684334  1
  Fe  Fe245  1  0.562325  0.131915  0.702889  1
  Fe  Fe246  1  0.229312  0.707134  0.684334  1
  Fe  Fe247  1  0.395658  0.631915  0.702889  1
  Fe  Fe248  1  0.729312  0.207134  0.684334  1
  Fe  Fe249  1  0.895658  0.131915  0.702889  1
  Fe  Fe250  1  0.562645  0.707134  0.684334  1
  Fe  Fe251  1  0.728991  0.631915  0.702889  1
  Fe  Fe252  1  0.895978  0.707134  0.684334  1
  Fe  Fe253  1  0.116670  0.842475  0.711584  1
  Fe  Fe254  1  0.283540  0.920045  0.694077  1
  Fe  Fe255  1  0.116873  0.420045  0.694077  1
  Fe  Fe256  1  0.450003  0.842475  0.711584  1
  Fe  Fe257  1  0.616873  0.920045  0.694077  1
  Fe  Fe258  1  0.283336  0.342475  0.711584  1
  Fe  Fe259  1  0.450207  0.420045  0.694077  1
  Fe  Fe260  1  0.783336  0.842475  0.711584  1
  Fe  Fe261  1  0.950207  0.920045  0.694077  1
  Fe  Fe262  1  0.616670  0.342475  0.711584  1
  Fe  Fe263  1  0.783540  0.420045  0.694077  1
  Fe  Fe264  1  0.950003  0.342475  0.711584  1
