# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.12809802
_cell_length_b   13.13037826
_cell_length_c   48.03886535
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe288
_cell_volume   7879.05536959
_cell_formula_units_Z   288
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  0.740906  0.019590  0.291871  1
  Fe  Fe2  1  0.073669  0.687991  0.291365  1
  Fe  Fe3  1  0.912472  0.994072  0.326075  1
  Fe  Fe4  1  0.332979  0.998859  0.305650  1
  Fe  Fe5  1  0.665950  0.664402  0.305694  1
  Fe  Fe6  1  0.999109  0.331711  0.305733  1
  Fe  Fe7  1  0.404777  0.355375  0.291990  1
  Fe  Fe8  1  0.245107  0.661574  0.326070  1
  Fe  Fe9  1  0.578555  0.325938  0.325212  1
  Fe  Fe10  1  0.748205  0.159991  0.326445  1
  Fe  Fe11  1  0.078747  0.827937  0.326062  1
  Fe  Fe12  1  0.166102  0.164860  0.305684  1
  Fe  Fe13  1  0.447064  0.028352  0.342743  1
  Fe  Fe14  1  0.907068  0.854448  0.291366  1
  Fe  Fe15  1  0.240113  0.521468  0.291403  1
  Fe  Fe16  1  0.411422  0.494922  0.326285  1
  Fe  Fe17  1  0.498795  0.830196  0.305641  1
  Fe  Fe18  1  0.832513  0.498410  0.305706  1
  Fe  Fe19  1  0.596687  0.097762  0.333607  1
  Fe  Fe20  1  0.932064  0.760023  0.335690  1
  Fe  Fe21  1  0.947424  0.167571  0.315495  1
  Fe  Fe22  1  0.398184  0.152609  0.299288  1
  Fe  Fe23  1  0.731627  0.817228  0.299092  1
  Fe  Fe24  1  0.064146  0.484938  0.299043  1
  Fe  Fe25  1  0.264293  0.427577  0.335773  1
  Fe  Fe26  1  0.280407  0.834733  0.315398  1
  Fe  Fe27  1  0.613526  0.500470  0.315427  1
  Fe  Fe28  1  0.765753  0.926060  0.335871  1
  Fe  Fe29  1  0.098395  0.593726  0.335699  1
  Fe  Fe30  1  0.113918  1.001072  0.315407  1
  Fe  Fe31  1  0.565141  0.980567  0.299095  1
  Fe  Fe32  1  0.897849  0.651259  0.299034  1
  Fe  Fe33  1  0.230021  0.318440  0.299166  1
  Fe  Fe34  1  0.429341  0.262142  0.336299  1
  Fe  Fe35  1  0.446822  0.667206  0.315432  1
  Fe  Fe36  1  0.781125  0.334429  0.315511  1
  Fe  Fe37  1  0.613167  0.861598  0.342590  1
  Fe  Fe38  1  0.946632  0.528136  0.342857  1
  Fe  Fe39  1  0.804099  0.821553  0.378741  1
  Fe  Fe40  1  0.191331  0.863405  0.361894  1
  Fe  Fe41  1  0.524663  0.529888  0.361852  1
  Fe  Fe42  1  0.858478  0.196939  0.362091  1
  Fe  Fe43  1  0.279476  0.194792  0.342885  1
  Fe  Fe44  1  0.137300  0.488387  0.378673  1
  Fe  Fe45  1  0.470818  0.154830  0.378589  1
  Fe  Fe46  1  0.636657  0.990605  0.377530  1
  Fe  Fe47  1  0.970741  0.654920  0.378661  1
  Fe  Fe48  1  0.024809  0.029936  0.361916  1
  Fe  Fe49  1  0.311340  0.897825  0.396890  1
  Fe  Fe50  1  0.780003  0.694614  0.342851  1
  Fe  Fe51  1  0.113007  0.361538  0.342909  1
  Fe  Fe52  1  0.303953  0.321819  0.378693  1
  Fe  Fe53  1  0.357838  0.696916  0.361891  1
  Fe  Fe54  1  0.690295  0.362911  0.361625  1
  Fe  Fe55  1  0.486883  0.931512  0.388462  1
  Fe  Fe56  1  0.819405  0.597903  0.388545  1
  Fe  Fe57  1  0.801769  0.039721  0.371529  1
  Fe  Fe58  1  0.240417  0.022052  0.350454  1
  Fe  Fe59  1  0.573462  0.688778  0.350440  1
  Fe  Fe60  1  0.906957  0.355661  0.350568  1
  Fe  Fe61  1  0.152866  0.264675  0.388601  1
  Fe  Fe62  1  0.134642  0.706399  0.371642  1
  Fe  Fe63  1  0.468102  0.373337  0.371703  1
  Fe  Fe64  1  0.652563  0.765267  0.388421  1
  Fe  Fe65  1  0.986026  0.431351  0.388623  1
  Fe  Fe66  1  0.968112  0.872881  0.371637  1
  Fe  Fe67  1  0.406971  0.855717  0.350479  1
  Fe  Fe68  1  0.740062  0.521846  0.350483  1
  Fe  Fe69  1  0.073676  0.188780  0.350528  1
  Fe  Fe70  1  0.319612  0.097886  0.388550  1
  Fe  Fe71  1  0.301159  0.539943  0.371689  1
  Fe  Fe72  1  0.634443  0.205590  0.371360  1
  Fe  Fe73  1  0.477766  0.731121  0.396881  1
  Fe  Fe74  1  0.810511  0.397550  0.396858  1
  Fe  Fe75  1  0.678035  0.685271  0.434013  1
  Fe  Fe76  1  0.047426  0.728692  0.418108  1
  Fe  Fe77  1  0.380665  0.395551  0.418126  1
  Fe  Fe78  1  0.713696  0.061398  0.417881  1
  Fe  Fe79  1  0.144450  0.064398  0.396930  1
  Fe  Fe80  1  0.011449  0.351845  0.434145  1
  Fe  Fe81  1  0.345010  0.018484  0.434080  1
  Fe  Fe82  1  0.511515  0.851934  0.434030  1
  Fe  Fe83  1  0.844699  0.518397  0.434082  1
  Fe  Fe84  1  0.880937  0.895312  0.418098  1
  Fe  Fe85  1  0.155005  0.822048  0.452872  1
  Fe  Fe86  1  0.644270  0.564357  0.396879  1
  Fe  Fe87  1  0.977809  0.231082  0.397021  1
  Fe  Fe88  1  0.178255  0.185133  0.434118  1
  Fe  Fe89  1  0.214014  0.562128  0.418134  1
  Fe  Fe90  1  0.547302  0.228816  0.418029  1
  Fe  Fe91  1  0.337023  0.832425  0.443873  1
  Fe  Fe92  1  0.670172  0.499178  0.443902  1
  Fe  Fe93  1  0.687309  0.880265  0.424516  1
  Fe  Fe94  1  0.093980  0.897120  0.406859  1
  Fe  Fe95  1  0.427333  0.563850  0.406856  1
  Fe  Fe96  1  0.759771  0.230139  0.406824  1
  Fe  Fe97  1  0.003811  0.165688  0.443957  1
  Fe  Fe98  1  0.020621  0.546777  0.424685  1
  Fe  Fe99  1  0.354118  0.213437  0.424637  1
  Fe  Fe100  1  0.503592  0.665804  0.443883  1
  Fe  Fe101  1  0.836894  0.332446  0.443896  1
  Fe  Fe102  1  0.853994  0.713361  0.424647  1
  Fe  Fe103  1  0.260593  0.730554  0.406866  1
  Fe  Fe104  1  0.594090  0.396912  0.406826  1
  Fe  Fe105  1  0.927112  0.063754  0.406887  1
  Fe  Fe106  1  0.170456  0.999045  0.443900  1
  Fe  Fe107  1  0.187313  0.380143  0.424691  1
  Fe  Fe108  1  0.520958  0.046740  0.424575  1
  Fe  Fe109  1  0.321609  0.655420  0.452890  1
  Fe  Fe110  1  0.654941  0.322170  0.452907  1
  Fe  Fe111  1  0.603877  0.607167  0.486194  1
  Fe  Fe112  1  0.958125  0.636858  0.468119  1
  Fe  Fe113  1  0.291607  0.303520  0.468109  1
  Fe  Fe114  1  0.625028  0.970125  0.468066  1
  Fe  Fe115  1  0.988418  0.988699  0.452890  1
  Fe  Fe116  1  0.937270  0.273817  0.486212  1
  Fe  Fe117  1  0.270715  0.940420  0.486173  1
  Fe  Fe118  1  0.437277  0.773802  0.486173  1
  Fe  Fe119  1  0.770542  0.440490  0.486210  1
  Fe  Fe120  1  0.791493  0.803609  0.468061  1
  Fe  Fe121  1  0.076009  0.749439  0.503944  1
  Fe  Fe122  1  0.488249  0.488780  0.452896  1
  Fe  Fe123  1  0.821722  0.155446  0.452844  1
  Fe  Fe124  1  0.104086  0.107047  0.486208  1
  Fe  Fe125  1  0.124812  0.470212  0.468137  1
  Fe  Fe126  1  0.458450  0.136790  0.468063  1
  Fe  Fe127  1  0.257140  0.761155  0.495259  1
  Fe  Fe128  1  0.590510  0.427823  0.495300  1
  Fe  Fe129  1  0.614781  0.788768  0.476699  1
  Fe  Fe130  1  0.971685  0.814124  0.461731  1
  Fe  Fe131  1  0.304940  0.480864  0.461766  1
  Fe  Fe132  1  0.638622  0.147454  0.461611  1
  Fe  Fe133  1  0.923939  0.094436  0.495270  1
  Fe  Fe134  1  0.947997  0.455493  0.476762  1
  Fe  Fe135  1  0.281597  0.122088  0.476728  1
  Fe  Fe136  1  0.423815  0.594492  0.495287  1
  Fe  Fe137  1  0.757285  0.261090  0.495280  1
  Fe  Fe138  1  0.781319  0.622168  0.476718  1
  Fe  Fe139  1  0.138267  0.647509  0.461752  1
  Fe  Fe140  1  0.471737  0.314152  0.461723  1
  Fe  Fe141  1  0.805042  0.980948  0.461651  1
  Fe  Fe142  1  0.090642  0.927675  0.495260  1
  Fe  Fe143  1  0.114800  0.288777  0.476764  1
  Fe  Fe144  1  0.448248  0.955401  0.476707  1
  Fe  Fe145  1  0.242630  0.582856  0.503955  1
  Fe  Fe146  1  0.576228  0.249386  0.503911  1
  Fe  Fe147  1  0.525571  0.531092  0.537806  1
  Fe  Fe148  1  0.883606  0.557187  0.519802  1
  Fe  Fe149  1  0.217152  0.223825  0.519771  1
  Fe  Fe150  1  0.550496  0.890464  0.519751  1
  Fe  Fe151  1  0.909422  0.916108  0.503911  1
  Fe  Fe152  1  0.859112  0.197604  0.537798  1
  Fe  Fe153  1  0.192329  0.864303  0.537784  1
  Fe  Fe154  1  0.358726  0.697863  0.537749  1
  Fe  Fe155  1  0.692365  0.364346  0.537809  1
  Fe  Fe156  1  0.717037  0.723813  0.519781  1
  Fe  Fe157  1  0.998897  0.672315  0.554509  1
  Fe  Fe158  1  0.409403  0.416155  0.503950  1
  Fe  Fe159  1  0.742843  0.082759  0.503907  1
  Fe  Fe160  1  0.025886  0.030748  0.537742  1
  Fe  Fe161  1  0.050334  0.390521  0.519807  1
  Fe  Fe162  1  0.383885  0.057146  0.519733  1
  Fe  Fe163  1  0.178750  0.685173  0.546447  1
  Fe  Fe164  1  0.512335  0.351852  0.546435  1
  Fe  Fe165  1  0.538422  0.710558  0.528726  1
  Fe  Fe166  1  0.895587  0.736902  0.511502  1
  Fe  Fe167  1  0.228969  0.403603  0.511520  1
  Fe  Fe168  1  0.562516  0.070192  0.511466  1
  Fe  Fe169  1  0.845776  0.018309  0.546423  1
  Fe  Fe170  1  0.871795  0.377180  0.528763  1
  Fe  Fe171  1  0.205308  0.043758  0.528704  1
  Fe  Fe172  1  0.345443  0.518593  0.546441  1
  Fe  Fe173  1  0.679116  0.185097  0.546432  1
  Fe  Fe174  1  0.705071  0.543876  0.528756  1
  Fe  Fe175  1  0.062217  0.570247  0.511529  1
  Fe  Fe176  1  0.395799  0.236897  0.511481  1
  Fe  Fe177  1  0.729092  0.903523  0.511487  1
  Fe  Fe178  1  0.012284  0.851661  0.546433  1
  Fe  Fe179  1  0.038562  0.210462  0.528735  1
  Fe  Fe180  1  0.371827  0.877216  0.528697  1
  Fe  Fe181  1  0.165555  0.505769  0.554510  1
  Fe  Fe182  1  0.499242  0.172430  0.554444  1
  Fe  Fe183  1  0.447990  0.454509  0.589137  1
  Fe  Fe184  1  0.806993  0.479654  0.571358  1
  Fe  Fe185  1  0.140676  0.146189  0.571252  1
  Fe  Fe186  1  0.473610  0.813226  0.571253  1
  Fe  Fe187  1  0.832431  0.838919  0.554497  1
  Fe  Fe188  1  0.781801  0.120734  0.589135  1
  Fe  Fe189  1  0.114712  0.787515  0.589165  1
  Fe  Fe190  1  0.281081  0.621105  0.589154  1
  Fe  Fe191  1  0.614996  0.287702  0.589143  1
  Fe  Fe192  1  0.640331  0.646403  0.571336  1
  Fe  Fe193  1  0.922130  0.595076  0.605629  1
  Fe  Fe194  1  0.332437  0.339114  0.554474  1
  Fe  Fe195  1  0.665880  0.005689  0.554465  1
  Fe  Fe196  1  0.948347  0.953873  0.589148  1
  Fe  Fe197  1  0.973794  0.312974  0.571337  1
  Fe  Fe198  1  0.307138  0.979667  0.571250  1
  Fe  Fe199  1  0.101516  0.608181  0.597423  1
  Fe  Fe200  1  0.435503  0.274985  0.597346  1
  Fe  Fe201  1  0.460371  0.634121  0.580332  1
  Fe  Fe202  1  0.819657  0.659355  0.562739  1
  Fe  Fe203  1  0.153071  0.326146  0.562688  1
  Fe  Fe204  1  0.486477  0.992880  0.562619  1
  Fe  Fe205  1  0.768711  0.941397  0.597385  1
  Fe  Fe206  1  0.794533  0.300163  0.580463  1
  Fe  Fe207  1  0.127860  0.966742  0.580456  1
  Fe  Fe208  1  0.268461  0.441626  0.597386  1
  Fe  Fe209  1  0.602119  0.108378  0.597346  1
  Fe  Fe210  1  0.627631  0.467040  0.580463  1
  Fe  Fe211  1  0.986218  0.492797  0.562743  1
  Fe  Fe212  1  0.319925  0.159438  0.562622  1
  Fe  Fe213  1  0.653102  0.826106  0.562682  1
  Fe  Fe214  1  0.935199  0.774510  0.597422  1
  Fe  Fe215  1  0.961624  0.132914  0.580328  1
  Fe  Fe216  1  0.294218  0.800363  0.580460  1
  Fe  Fe217  1  0.088978  0.428726  0.605521  1
  Fe  Fe218  1  0.422696  0.095518  0.605378  1
  Fe  Fe219  1  0.371122  0.377090  0.640271  1
  Fe  Fe220  1  0.729978  0.402678  0.623243  1
  Fe  Fe221  1  0.063825  0.068999  0.623321  1
  Fe  Fe222  1  0.396293  0.736503  0.623325  1
  Fe  Fe223  1  0.755812  0.761889  0.605523  1
  Fe  Fe224  1  0.704297  0.043929  0.640275  1
  Fe  Fe225  1  0.037196  0.710053  0.640367  1
  Fe  Fe226  1  0.203586  0.543736  0.640317  1
  Fe  Fe227  1  0.537970  0.210755  0.640288  1
  Fe  Fe228  1  0.561709  0.570766  0.622927  1
  Fe  Fe229  1  0.844439  0.517237  0.656690  1
  Fe  Fe230  1  0.256180  0.261968  0.605388  1
  Fe  Fe231  1  0.589116  0.929028  0.605391  1
  Fe  Fe232  1  0.870905  0.876433  0.640321  1
  Fe  Fe233  1  0.898086  0.234421  0.622926  1
  Fe  Fe234  1  0.230056  0.902748  0.623350  1
  Fe  Fe235  1  0.023841  0.530908  0.648578  1
  Fe  Fe236  1  0.358779  0.197809  0.648340  1
  Fe  Fe237  1  0.383273  0.557022  0.631972  1
  Fe  Fe238  1  0.742713  0.581809  0.613851  1
  Fe  Fe239  1  0.076439  0.248369  0.613612  1
  Fe  Fe240  1  0.409141  0.915506  0.613591  1
  Fe  Fe241  1  0.691338  0.864954  0.648363  1
  Fe  Fe242  1  0.717577  0.223349  0.631996  1
  Fe  Fe243  1  0.050635  0.889704  0.631995  1
  Fe  Fe244  1  0.192139  0.364154  0.648356  1
  Fe  Fe245  1  0.525019  0.031569  0.648343  1
  Fe  Fe246  1  0.550606  0.390305  0.631995  1
  Fe  Fe247  1  0.909039  0.415496  0.613849  1
  Fe  Fe248  1  0.242801  0.081857  0.613588  1
  Fe  Fe249  1  0.575617  0.749166  0.613616  1
  Fe  Fe250  1  0.858059  0.696689  0.648581  1
  Fe  Fe251  1  0.884284  0.056043  0.631973  1
  Fe  Fe252  1  0.216919  0.723406  0.631995  1
  Fe  Fe253  1  0.013985  0.352023  0.655462  1
  Fe  Fe254  1  0.346600  0.019361  0.655303  1
  Fe  Fe255  1  0.290616  0.295663  0.691267  1
  Fe  Fe256  1  0.654673  0.327425  0.674915  1
  Fe  Fe257  1  0.986440  0.991773  0.674562  1
  Fe  Fe258  1  0.318995  0.659194  0.674560  1
  Fe  Fe259  1  0.679225  0.686767  0.655468  1
  Fe  Fe260  1  0.622870  0.963412  0.691273  1
  Fe  Fe261  1  0.956014  0.628832  0.691539  1
  Fe  Fe262  1  0.124405  0.462010  0.691273  1
  Fe  Fe263  1  0.456756  0.129545  0.691276  1
  Fe  Fe264  1  0.485668  0.492850  0.674610  1
  Fe  Fe265  1  0.760467  0.433250  0.706794  1
  Fe  Fe266  1  0.180382  0.185588  0.655307  1
  Fe  Fe267  1  0.512812  0.853144  0.655312  1
  Fe  Fe268  1  0.789204  0.797207  0.691281  1
  Fe  Fe269  1  0.820107  0.158436  0.674612  1
  Fe  Fe270  1  0.152707  0.825478  0.674584  1
  Fe  Fe271  1  0.943510  0.444632  0.699126  1
  Fe  Fe272  1  0.273921  0.112735  0.698520  1
  Fe  Fe273  1  0.305176  0.477746  0.682996  1
  Fe  Fe274  1  0.663509  0.509958  0.665128  1
  Fe  Fe275  1  0.001814  0.172696  0.666311  1
  Fe  Fe276  1  0.333955  0.840553  0.666351  1
  Fe  Fe277  1  0.605750  0.780768  0.698581  1
  Fe  Fe278  1  0.638554  0.145362  0.683005  1
  Fe  Fe279  1  0.971490  0.810663  0.683095  1
  Fe  Fe280  1  0.107968  0.278556  0.698574  1
  Fe  Fe281  1  0.439935  0.946719  0.698523  1
  Fe  Fe282  1  0.472581  0.311326  0.683002  1
  Fe  Fe283  1  0.837212  0.336271  0.665129  1
  Fe  Fe284  1  0.167813  0.006708  0.666349  1
  Fe  Fe285  1  0.499935  0.674548  0.666314  1
  Fe  Fe286  1  0.771820  0.616299  0.699130  1
  Fe  Fe287  1  0.804964  0.977972  0.683003  1
  Fe  Fe288  1  0.137853  0.644291  0.683092  1
