# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.40011734
_cell_length_b   11.39992701
_cell_length_c   47.63619451
_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   7276.922203
_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  0.060307  0.760587  0.285836  1
  Fe  Fe2  1  0.226769  0.683017  0.303342  1
  Fe  Fe3  1  0.060102  0.183017  0.303342  1
  Fe  Fe4  1  0.393640  0.760587  0.285836  1
  Fe  Fe5  1  0.560102  0.683017  0.303342  1
  Fe  Fe6  1  0.226973  0.260587  0.285836  1
  Fe  Fe7  1  0.393436  0.183017  0.303342  1
  Fe  Fe8  1  0.726973  0.760587  0.285836  1
  Fe  Fe9  1  0.893436  0.683017  0.303342  1
  Fe  Fe10  1  0.560307  0.260587  0.285836  1
  Fe  Fe11  1  0.726769  0.183017  0.303342  1
  Fe  Fe12  1  0.893640  0.260587  0.285836  1
  Fe  Fe13  1  0.114329  0.395926  0.313086  1
  Fe  Fe14  1  0.281316  0.471147  0.294531  1
  Fe  Fe15  1  0.114649  0.971147  0.294531  1
  Fe  Fe16  1  0.447662  0.395926  0.313086  1
  Fe  Fe17  1  0.614649  0.471147  0.294531  1
  Fe  Fe18  1  0.280996  0.895926  0.313086  1
  Fe  Fe19  1  0.447983  0.971147  0.294531  1
  Fe  Fe20  1  0.780996  0.395926  0.313086  1
  Fe  Fe21  1  0.947983  0.471147  0.294531  1
  Fe  Fe22  1  0.614329  0.895926  0.313086  1
  Fe  Fe23  1  0.781316  0.971147  0.294531  1
  Fe  Fe24  1  0.947662  0.895926  0.313086  1
  Fe  Fe25  1  0.060916  0.605721  0.323429  1
  Fe  Fe26  1  0.226952  0.529580  0.343386  1
  Fe  Fe27  1  0.060285  0.029580  0.343386  1
  Fe  Fe28  1  0.394249  0.605721  0.323429  1
  Fe  Fe29  1  0.560285  0.529580  0.343386  1
  Fe  Fe30  1  0.227582  0.105721  0.323429  1
  Fe  Fe31  1  0.393618  0.029580  0.343386  1
  Fe  Fe32  1  0.727582  0.605721  0.323429  1
  Fe  Fe33  1  0.893618  0.529580  0.343386  1
  Fe  Fe34  1  0.560916  0.105721  0.323429  1
  Fe  Fe35  1  0.726952  0.029580  0.343386  1
  Fe  Fe36  1  0.894249  0.105721  0.323429  1
  Fe  Fe37  1  0.116864  0.241037  0.352719  1
  Fe  Fe38  1  0.283392  0.318777  0.334000  1
  Fe  Fe39  1  0.116725  0.818777  0.334000  1
  Fe  Fe40  1  0.450197  0.241037  0.352719  1
  Fe  Fe41  1  0.616725  0.318777  0.334000  1
  Fe  Fe42  1  0.283531  0.741037  0.352719  1
  Fe  Fe43  1  0.450059  0.818777  0.334000  1
  Fe  Fe44  1  0.783531  0.241037  0.352719  1
  Fe  Fe45  1  0.950059  0.318777  0.334000  1
  Fe  Fe46  1  0.616864  0.741037  0.352719  1
  Fe  Fe47  1  0.783392  0.818777  0.334000  1
  Fe  Fe48  1  0.950197  0.741037  0.352719  1
  Fe  Fe49  1  0.061267  0.452095  0.363441  1
  Fe  Fe50  1  0.227276  0.374437  0.383542  1
  Fe  Fe51  1  0.060609  0.874437  0.383542  1
  Fe  Fe52  1  0.394600  0.452095  0.363441  1
  Fe  Fe53  1  0.560609  0.374437  0.383542  1
  Fe  Fe54  1  0.227934  0.952095  0.363441  1
  Fe  Fe55  1  0.393942  0.874437  0.383542  1
  Fe  Fe56  1  0.727934  0.452095  0.363441  1
  Fe  Fe57  1  0.893942  0.374437  0.383542  1
  Fe  Fe58  1  0.561267  0.952095  0.363441  1
  Fe  Fe59  1  0.727276  0.874437  0.383542  1
  Fe  Fe60  1  0.894600  0.952095  0.363441  1
  Fe  Fe61  1  0.116128  0.085686  0.393311  1
  Fe  Fe62  1  0.282831  0.163356  0.373350  1
  Fe  Fe63  1  0.116164  0.663356  0.373350  1
  Fe  Fe64  1  0.449462  0.085686  0.393311  1
  Fe  Fe65  1  0.616164  0.163356  0.373350  1
  Fe  Fe66  1  0.282795  0.585686  0.393311  1
  Fe  Fe67  1  0.449497  0.663356  0.373350  1
  Fe  Fe68  1  0.782795  0.085686  0.393311  1
  Fe  Fe69  1  0.949497  0.163356  0.373350  1
  Fe  Fe70  1  0.616128  0.585686  0.393311  1
  Fe  Fe71  1  0.782831  0.663356  0.373350  1
  Fe  Fe72  1  0.949462  0.585686  0.393311  1
  Fe  Fe73  1  0.060999  0.296493  0.403322  1
  Fe  Fe74  1  0.227550  0.218756  0.423467  1
  Fe  Fe75  1  0.060883  0.718756  0.423467  1
  Fe  Fe76  1  0.394332  0.296493  0.403322  1
  Fe  Fe77  1  0.560883  0.218756  0.423467  1
  Fe  Fe78  1  0.227665  0.796493  0.403322  1
  Fe  Fe79  1  0.394216  0.718756  0.423467  1
  Fe  Fe80  1  0.727665  0.296493  0.403322  1
  Fe  Fe81  1  0.894216  0.218756  0.423467  1
  Fe  Fe82  1  0.560999  0.796493  0.403322  1
  Fe  Fe83  1  0.727550  0.718756  0.423467  1
  Fe  Fe84  1  0.894332  0.796493  0.403322  1
  Fe  Fe85  1  0.116164  0.929770  0.433526  1
  Fe  Fe86  1  0.282665  0.007782  0.413548  1
  Fe  Fe87  1  0.115998  0.507782  0.413548  1
  Fe  Fe88  1  0.449497  0.929770  0.433526  1
  Fe  Fe89  1  0.615998  0.007782  0.413548  1
  Fe  Fe90  1  0.282830  0.429770  0.433526  1
  Fe  Fe91  1  0.449331  0.507782  0.413548  1
  Fe  Fe92  1  0.782830  0.929770  0.433526  1
  Fe  Fe93  1  0.949331  0.007782  0.413548  1
  Fe  Fe94  1  0.616164  0.429770  0.433526  1
  Fe  Fe95  1  0.782665  0.507782  0.413548  1
  Fe  Fe96  1  0.949497  0.429770  0.433526  1
  Fe  Fe97  1  0.060980  0.140834  0.443527  1
  Fe  Fe98  1  0.227580  0.062940  0.463634  1
  Fe  Fe99  1  0.060914  0.562940  0.463634  1
  Fe  Fe100  1  0.394313  0.140834  0.443527  1
  Fe  Fe101  1  0.560914  0.062940  0.463634  1
  Fe  Fe102  1  0.227646  0.640834  0.443527  1
  Fe  Fe103  1  0.394247  0.562940  0.463634  1
  Fe  Fe104  1  0.727646  0.140834  0.443527  1
  Fe  Fe105  1  0.894247  0.062940  0.463634  1
  Fe  Fe106  1  0.560980  0.640834  0.443527  1
  Fe  Fe107  1  0.727580  0.562940  0.463634  1
  Fe  Fe108  1  0.894313  0.640834  0.443527  1
  Fe  Fe109  1  0.116065  0.773938  0.473621  1
  Fe  Fe110  1  0.282704  0.851832  0.453559  1
  Fe  Fe111  1  0.116037  0.351832  0.453559  1
  Fe  Fe112  1  0.449399  0.773938  0.473621  1
  Fe  Fe113  1  0.616037  0.851832  0.453559  1
  Fe  Fe114  1  0.282732  0.273938  0.473621  1
  Fe  Fe115  1  0.449370  0.351832  0.453559  1
  Fe  Fe116  1  0.782732  0.773938  0.473621  1
  Fe  Fe117  1  0.949370  0.851832  0.453559  1
  Fe  Fe118  1  0.616065  0.273938  0.473621  1
  Fe  Fe119  1  0.782704  0.351832  0.453559  1
  Fe  Fe120  1  0.949399  0.273938  0.473621  1
  Fe  Fe121  1  0.060903  0.984950  0.483657  1
  Fe  Fe122  1  0.227606  0.907029  0.503720  1
  Fe  Fe123  1  0.060939  0.407029  0.503720  1
  Fe  Fe124  1  0.394236  0.984950  0.483657  1
  Fe  Fe125  1  0.560939  0.907029  0.503720  1
  Fe  Fe126  1  0.227570  0.484950  0.483657  1
  Fe  Fe127  1  0.394272  0.407029  0.503720  1
  Fe  Fe128  1  0.727570  0.984950  0.483657  1
  Fe  Fe129  1  0.894272  0.907029  0.503720  1
  Fe  Fe130  1  0.560903  0.484950  0.483657  1
  Fe  Fe131  1  0.727606  0.407029  0.503720  1
  Fe  Fe132  1  0.894236  0.484950  0.483657  1
  Fe  Fe133  1  0.116076  0.618104  0.513758  1
  Fe  Fe134  1  0.282707  0.696026  0.493694  1
  Fe  Fe135  1  0.116040  0.196026  0.493694  1
  Fe  Fe136  1  0.449410  0.618104  0.513758  1
  Fe  Fe137  1  0.616040  0.696026  0.493694  1
  Fe  Fe138  1  0.282743  0.118104  0.513758  1
  Fe  Fe139  1  0.449373  0.196026  0.493694  1
  Fe  Fe140  1  0.782743  0.618104  0.513758  1
  Fe  Fe141  1  0.949373  0.696026  0.493694  1
  Fe  Fe142  1  0.616076  0.118104  0.513758  1
  Fe  Fe143  1  0.782707  0.196026  0.493694  1
  Fe  Fe144  1  0.949410  0.118104  0.513758  1
  Fe  Fe145  1  0.060914  0.829116  0.523794  1
  Fe  Fe146  1  0.227609  0.751223  0.543856  1
  Fe  Fe147  1  0.060942  0.251223  0.543856  1
  Fe  Fe148  1  0.394247  0.829116  0.523794  1
  Fe  Fe149  1  0.560942  0.751223  0.543856  1
  Fe  Fe150  1  0.227581  0.329116  0.523794  1
  Fe  Fe151  1  0.394275  0.251223  0.543856  1
  Fe  Fe152  1  0.727581  0.829116  0.523794  1
  Fe  Fe153  1  0.894275  0.751223  0.543856  1
  Fe  Fe154  1  0.560914  0.329116  0.523794  1
  Fe  Fe155  1  0.727609  0.251223  0.543856  1
  Fe  Fe156  1  0.894247  0.329116  0.523794  1
  Fe  Fe157  1  0.116000  0.462220  0.553888  1
  Fe  Fe158  1  0.282732  0.540115  0.533781  1
  Fe  Fe159  1  0.116065  0.040115  0.533781  1
  Fe  Fe160  1  0.449333  0.462220  0.553888  1
  Fe  Fe161  1  0.616065  0.540115  0.533781  1
  Fe  Fe162  1  0.282666  0.962220  0.553888  1
  Fe  Fe163  1  0.449399  0.040115  0.533781  1
  Fe  Fe164  1  0.782666  0.462220  0.553888  1
  Fe  Fe165  1  0.949399  0.540115  0.533781  1
  Fe  Fe166  1  0.616000  0.962220  0.553888  1
  Fe  Fe167  1  0.782732  0.040115  0.533781  1
  Fe  Fe168  1  0.949333  0.962220  0.553888  1
  Fe  Fe169  1  0.060815  0.673285  0.563888  1
  Fe  Fe170  1  0.227648  0.595273  0.583867  1
  Fe  Fe171  1  0.060981  0.095273  0.583867  1
  Fe  Fe172  1  0.394149  0.673285  0.563888  1
  Fe  Fe173  1  0.560981  0.595273  0.583867  1
  Fe  Fe174  1  0.227482  0.173285  0.563888  1
  Fe  Fe175  1  0.394315  0.095273  0.583867  1
  Fe  Fe176  1  0.727482  0.673285  0.563888  1
  Fe  Fe177  1  0.894315  0.595273  0.583867  1
  Fe  Fe178  1  0.560815  0.173285  0.563888  1
  Fe  Fe179  1  0.727648  0.095273  0.583867  1
  Fe  Fe180  1  0.894149  0.173285  0.563888  1
  Fe  Fe181  1  0.115981  0.306561  0.594093  1
  Fe  Fe182  1  0.282763  0.384299  0.573948  1
  Fe  Fe183  1  0.116096  0.884299  0.573948  1
  Fe  Fe184  1  0.449314  0.306561  0.594093  1
  Fe  Fe185  1  0.616096  0.384299  0.573948  1
  Fe  Fe186  1  0.282647  0.806561  0.594093  1
  Fe  Fe187  1  0.449429  0.884299  0.573948  1
  Fe  Fe188  1  0.782647  0.306561  0.594093  1
  Fe  Fe189  1  0.949429  0.384299  0.573948  1
  Fe  Fe190  1  0.615981  0.806561  0.594093  1
  Fe  Fe191  1  0.782763  0.884299  0.573948  1
  Fe  Fe192  1  0.949314  0.806561  0.594093  1
  Fe  Fe193  1  0.060851  0.517368  0.604104  1
  Fe  Fe194  1  0.227482  0.439699  0.624064  1
  Fe  Fe195  1  0.060815  0.939699  0.624064  1
  Fe  Fe196  1  0.394184  0.517368  0.604104  1
  Fe  Fe197  1  0.560815  0.439699  0.624064  1
  Fe  Fe198  1  0.227517  0.017368  0.604104  1
  Fe  Fe199  1  0.394148  0.939699  0.624064  1
  Fe  Fe200  1  0.727517  0.517368  0.604104  1
  Fe  Fe201  1  0.894148  0.439699  0.624064  1
  Fe  Fe202  1  0.560851  0.017368  0.604104  1
  Fe  Fe203  1  0.727482  0.939699  0.624064  1
  Fe  Fe204  1  0.894184  0.017368  0.604104  1
  Fe  Fe205  1  0.115712  0.150959  0.633974  1
  Fe  Fe206  1  0.283037  0.228617  0.613873  1
  Fe  Fe207  1  0.116370  0.728617  0.613873  1
  Fe  Fe208  1  0.449045  0.150959  0.633974  1
  Fe  Fe209  1  0.616370  0.228617  0.613873  1
  Fe  Fe210  1  0.282379  0.650959  0.633974  1
  Fe  Fe211  1  0.449704  0.728617  0.613873  1
  Fe  Fe212  1  0.782379  0.150959  0.633974  1
  Fe  Fe213  1  0.949704  0.228617  0.613873  1
  Fe  Fe214  1  0.615712  0.650959  0.633974  1
  Fe  Fe215  1  0.783037  0.728617  0.613873  1
  Fe  Fe216  1  0.949045  0.650959  0.633974  1
  Fe  Fe217  1  0.060115  0.362017  0.644696  1
  Fe  Fe218  1  0.226921  0.284278  0.663415  1
  Fe  Fe219  1  0.060254  0.784278  0.663415  1
  Fe  Fe220  1  0.393449  0.362017  0.644696  1
  Fe  Fe221  1  0.560254  0.284278  0.663415  1
  Fe  Fe222  1  0.226782  0.862017  0.644696  1
  Fe  Fe223  1  0.393587  0.784278  0.663415  1
  Fe  Fe224  1  0.726782  0.362017  0.644696  1
  Fe  Fe225  1  0.893587  0.284278  0.663415  1
  Fe  Fe226  1  0.560115  0.862017  0.644696  1
  Fe  Fe227  1  0.726921  0.784278  0.663415  1
  Fe  Fe228  1  0.893449  0.862017  0.644696  1
  Fe  Fe229  1  0.116063  0.997333  0.673986  1
  Fe  Fe230  1  0.283361  0.073474  0.654029  1
  Fe  Fe231  1  0.116694  0.573474  0.654029  1
  Fe  Fe232  1  0.449397  0.997333  0.673986  1
  Fe  Fe233  1  0.616694  0.073474  0.654029  1
  Fe  Fe234  1  0.282730  0.497333  0.673986  1
  Fe  Fe235  1  0.450027  0.573474  0.654029  1
  Fe  Fe236  1  0.782730  0.997333  0.673986  1
  Fe  Fe237  1  0.950027  0.073474  0.654029  1
  Fe  Fe238  1  0.616063  0.497333  0.673986  1
  Fe  Fe239  1  0.783361  0.573474  0.654029  1
  Fe  Fe240  1  0.949397  0.497333  0.673986  1
  Fe  Fe241  1  0.062650  0.207129  0.684329  1
  Fe  Fe242  1  0.228997  0.131907  0.702884  1
  Fe  Fe243  1  0.062330  0.631907  0.702884  1
  Fe  Fe244  1  0.395984  0.207129  0.684329  1
  Fe  Fe245  1  0.562330  0.131907  0.702884  1
  Fe  Fe246  1  0.229317  0.707129  0.684329  1
  Fe  Fe247  1  0.395663  0.631907  0.702884  1
  Fe  Fe248  1  0.729317  0.207129  0.684329  1
  Fe  Fe249  1  0.895663  0.131907  0.702884  1
  Fe  Fe250  1  0.562650  0.707129  0.684329  1
  Fe  Fe251  1  0.728997  0.631907  0.702884  1
  Fe  Fe252  1  0.895984  0.707129  0.684329  1
  Fe  Fe253  1  0.116673  0.842468  0.711579  1
  Fe  Fe254  1  0.283543  0.920038  0.694073  1
  Fe  Fe255  1  0.116877  0.420038  0.694073  1
  Fe  Fe256  1  0.450006  0.842468  0.711579  1
  Fe  Fe257  1  0.616877  0.920038  0.694073  1
  Fe  Fe258  1  0.283339  0.342468  0.711579  1
  Fe  Fe259  1  0.450210  0.420038  0.694073  1
  Fe  Fe260  1  0.783339  0.842468  0.711579  1
  Fe  Fe261  1  0.950210  0.920038  0.694073  1
  Fe  Fe262  1  0.616673  0.342468  0.711579  1
  Fe  Fe263  1  0.783543  0.420038  0.694073  1
  Fe  Fe264  1  0.950006  0.342468  0.711579  1
