# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.08650980
_cell_length_b   13.08802647
_cell_length_c   48.36804624
_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   7882.40794455
_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  0.774743  0.935604  0.306082  1
  Fe  Fe2  1  0.106201  0.604265  0.305826  1
  Fe  Fe3  1  0.050853  0.880165  0.342133  1
  Fe  Fe4  1  0.409534  0.906209  0.322426  1
  Fe  Fe5  1  0.743551  0.572757  0.322447  1
  Fe  Fe6  1  0.078141  0.240264  0.322640  1
  Fe  Fe7  1  0.440403  0.268711  0.305835  1
  Fe  Fe8  1  0.471665  0.634135  0.290587  1
  Fe  Fe9  1  0.803781  0.301598  0.290745  1
  Fe  Fe10  1  0.608733  0.101746  0.305826  1
  Fe  Fe11  1  0.940038  0.770295  0.306082  1
  Fe  Fe12  1  0.884615  0.046396  0.342131  1
  Fe  Fe13  1  0.244321  0.074079  0.322647  1
  Fe  Fe14  1  0.576802  0.739501  0.322454  1
  Fe  Fe15  1  0.910275  0.405485  0.322412  1
  Fe  Fe16  1  0.273178  0.435944  0.305835  1
  Fe  Fe17  1  0.305868  0.799509  0.290754  1
  Fe  Fe18  1  0.638396  0.467400  0.290582  1
  Fe  Fe19  1  0.792967  0.116962  0.298435  1
  Fe  Fe20  1  0.121364  0.788508  0.298440  1
  Fe  Fe21  1  0.063373  0.059277  0.331328  1
  Fe  Fe22  1  0.426081  0.087241  0.314049  1
  Fe  Fe23  1  0.758432  0.754173  0.314200  1
  Fe  Fe24  1  0.091550  0.421780  0.314040  1
  Fe  Fe25  1  0.455324  0.450931  0.297759  1
  Fe  Fe26  1  0.398000  0.726992  0.333693  1
  Fe  Fe27  1  0.731138  0.393853  0.333681  1
  Fe  Fe28  1  0.591913  0.920738  0.314119  1
  Fe  Fe29  1  0.925018  0.587639  0.314111  1
  Fe  Fe30  1  0.958148  0.953705  0.299036  1
  Fe  Fe31  1  0.227436  0.896338  0.332475  1
  Fe  Fe32  1  0.564589  0.560442  0.333646  1
  Fe  Fe33  1  0.900450  0.223332  0.332478  1
  Fe  Fe34  1  0.258942  0.254631  0.314058  1
  Fe  Fe35  1  0.288383  0.617833  0.297836  1
  Fe  Fe36  1  0.622222  0.283987  0.297829  1
  Fe  Fe37  1  0.693063  0.856054  0.356613  1
  Fe  Fe38  1  0.027164  0.522312  0.356506  1
  Fe  Fe39  1  0.976086  0.803497  0.391613  1
  Fe  Fe40  1  0.333087  0.832088  0.374696  1
  Fe  Fe41  1  0.668108  0.497611  0.375147  1
  Fe  Fe42  1  1.001943  0.162802  0.374553  1
  Fe  Fe43  1  0.360671  0.189500  0.356478  1
  Fe  Fe44  1  0.386338  0.548526  0.340577  1
  Fe  Fe45  1  0.720012  0.215185  0.340709  1
  Fe  Fe46  1  0.526691  0.022761  0.356521  1
  Fe  Fe47  1  0.860428  0.688701  0.356605  1
  Fe  Fe48  1  0.808918  0.970638  0.391616  1
  Fe  Fe49  1  0.166484  0.998259  0.374554  1
  Fe  Fe50  1  0.501379  0.664344  0.375158  1
  Fe  Fe51  1  0.835799  0.329376  0.374687  1
  Fe  Fe52  1  0.193908  0.356276  0.356470  1
  Fe  Fe53  1  0.219651  0.715568  0.340717  1
  Fe  Fe54  1  0.552997  0.381858  0.340573  1
  Fe  Fe55  1  0.706273  0.035751  0.348665  1
  Fe  Fe56  1  0.040431  0.701610  0.348663  1
  Fe  Fe57  1  0.988442  0.983885  0.383891  1
  Fe  Fe58  1  0.346571  0.010376  0.365121  1
  Fe  Fe59  1  0.680463  0.676737  0.365217  1
  Fe  Fe60  1  0.014108  0.342850  0.365105  1
  Fe  Fe61  1  0.373924  0.369223  0.348442  1
  Fe  Fe62  1  0.321881  0.650817  0.383457  1
  Fe  Fe63  1  0.655418  0.317245  0.383452  1
  Fe  Fe64  1  0.513151  0.843661  0.365172  1
  Fe  Fe65  1  0.847399  0.509431  0.365155  1
  Fe  Fe66  1  0.872711  0.868052  0.348866  1
  Fe  Fe67  1  0.155452  0.817053  0.383682  1
  Fe  Fe68  1  0.488570  0.483915  0.383454  1
  Fe  Fe69  1  0.821613  0.150869  0.383678  1
  Fe  Fe70  1  0.180439  0.176719  0.365108  1
  Fe  Fe71  1  0.207013  0.536127  0.348442  1
  Fe  Fe72  1  0.540803  0.202311  0.348444  1
  Fe  Fe73  1  0.615187  0.779793  0.407777  1
  Fe  Fe74  1  0.949319  0.445697  0.407697  1
  Fe  Fe75  1  0.901372  0.726131  0.441384  1
  Fe  Fe76  1  0.257271  0.752532  0.426182  1
  Fe  Fe77  1  0.590773  0.419160  0.426143  1
  Fe  Fe78  1  0.923663  0.085832  0.426235  1
  Fe  Fe79  1  0.282014  0.113196  0.407696  1
  Fe  Fe80  1  0.309677  0.470933  0.391256  1
  Fe  Fe81  1  0.642640  0.137631  0.391387  1
  Fe  Fe82  1  0.448317  0.946673  0.407731  1
  Fe  Fe83  1  0.782450  0.612556  0.407756  1
  Fe  Fe84  1  0.734264  0.893167  0.441408  1
  Fe  Fe85  1  0.090487  0.919017  0.426236  1
  Fe  Fe86  1  0.423997  0.585963  0.426141  1
  Fe  Fe87  1  0.757230  0.252539  0.426181  1
  Fe  Fe88  1  0.115790  0.279429  0.407683  1
  Fe  Fe89  1  0.143130  0.637203  0.391382  1
  Fe  Fe90  1  0.476412  0.304163  0.391259  1
  Fe  Fe91  1  0.629003  0.958211  0.399113  1
  Fe  Fe92  1  0.963220  0.624055  0.399090  1
  Fe  Fe93  1  0.912347  0.904842  0.434514  1
  Fe  Fe94  1  0.268524  0.934032  0.417038  1
  Fe  Fe95  1  0.602698  0.600229  0.417279  1
  Fe  Fe96  1  0.936273  0.266286  0.417035  1
  Fe  Fe97  1  0.296432  0.291448  0.398993  1
  Fe  Fe98  1  0.246209  0.571587  0.434350  1
  Fe  Fe99  1  0.579130  0.238572  0.434358  1
  Fe  Fe100  1  0.435278  0.767413  0.417100  1
  Fe  Fe101  1  0.769770  0.432929  0.417091  1
  Fe  Fe102  1  0.795982  0.791031  0.399129  1
  Fe  Fe103  1  0.079440  0.737970  0.434463  1
  Fe  Fe104  1  0.412757  0.405144  0.434293  1
  Fe  Fe105  1  0.745478  0.071872  0.434466  1
  Fe  Fe106  1  0.102395  0.100195  0.417114  1
  Fe  Fe107  1  0.129898  0.457790  0.399019  1
  Fe  Fe108  1  0.462755  0.124882  0.399041  1
  Fe  Fe109  1  0.536975  0.706103  0.459336  1
  Fe  Fe110  1  0.870705  0.372235  0.459300  1
  Fe  Fe111  1  0.764175  0.644999  0.496397  1
  Fe  Fe112  1  0.178562  0.665838  0.477334  1
  Fe  Fe113  1  0.511499  0.332848  0.477329  1
  Fe  Fe114  1  0.844791  0.999668  0.477324  1
  Fe  Fe115  1  0.203499  0.039401  0.459314  1
  Fe  Fe116  1  0.234902  0.393088  0.441356  1
  Fe  Fe117  1  0.567563  0.060099  0.441416  1
  Fe  Fe118  1  0.369972  0.872897  0.459283  1
  Fe  Fe119  1  0.704302  0.538877  0.459361  1
  Fe  Fe120  1  0.597941  0.811574  0.496439  1
  Fe  Fe121  1  0.011730  0.832713  0.477322  1
  Fe  Fe122  1  0.345127  0.499266  0.477316  1
  Fe  Fe123  1  0.678008  0.166389  0.477346  1
  Fe  Fe124  1  0.037034  0.205894  0.459321  1
  Fe  Fe125  1  0.068376  0.559408  0.441377  1
  Fe  Fe126  1  0.401224  0.226712  0.441374  1
  Fe  Fe127  1  0.550447  0.885380  0.450070  1
  Fe  Fe128  1  0.884531  0.551421  0.449997  1
  Fe  Fe129  1  0.825480  0.805383  0.485596  1
  Fe  Fe130  1  0.192263  0.854331  0.468571  1
  Fe  Fe131  1  0.525759  0.520999  0.468570  1
  Fe  Fe132  1  0.858794  0.187750  0.468579  1
  Fe  Fe133  1  0.217466  0.218559  0.450050  1
  Fe  Fe134  1  0.158772  0.471698  0.485710  1
  Fe  Fe135  1  0.491893  0.138692  0.485751  1
  Fe  Fe136  1  0.359024  0.687671  0.468565  1
  Fe  Fe137  1  0.692271  0.354332  0.468585  1
  Fe  Fe138  1  0.717498  0.718338  0.450038  1
  Fe  Fe139  1  0.992155  0.638546  0.485607  1
  Fe  Fe140  1  0.325272  0.305146  0.485762  1
  Fe  Fe141  1  0.658693  0.972096  0.485675  1
  Fe  Fe142  1  0.025494  0.021072  0.468568  1
  Fe  Fe143  1  0.051085  0.384896  0.450025  1
  Fe  Fe144  1  0.383838  0.052105  0.450061  1
  Fe  Fe145  1  0.374723  0.614569  0.514376  1
  Fe  Fe146  1  0.707677  0.281516  0.514407  1
  Fe  Fe147  1  0.652814  0.483632  0.551487  1
  Fe  Fe148  1  0.041590  0.516745  0.531366  1
  Fe  Fe149  1  0.374760  0.182982  0.531725  1
  Fe  Fe150  1  0.709084  0.849592  0.531525  1
  Fe  Fe151  1  0.041532  0.948110  0.514303  1
  Fe  Fe152  1  0.097309  0.311741  0.496444  1
  Fe  Fe153  1  0.431118  0.978208  0.496440  1
  Fe  Fe154  1  0.208282  0.781255  0.514337  1
  Fe  Fe155  1  0.541045  0.448032  0.514410  1
  Fe  Fe156  1  0.486516  0.649868  0.551468  1
  Fe  Fe157  1  0.875444  0.683322  0.531356  1
  Fe  Fe158  1  0.207964  0.349679  0.531736  1
  Fe  Fe159  1  0.542060  0.016212  0.531590  1
  Fe  Fe160  1  0.874602  0.114899  0.514337  1
  Fe  Fe161  1  0.930367  0.478418  0.496366  1
  Fe  Fe162  1  0.264208  0.144943  0.496455  1
  Fe  Fe163  1  0.394627  0.801771  0.505473  1
  Fe  Fe164  1  0.727551  0.468498  0.505526  1
  Fe  Fe165  1  0.676519  0.664231  0.542505  1
  Fe  Fe166  1  0.034010  0.743047  0.522411  1
  Fe  Fe167  1  0.366625  0.409743  0.522572  1
  Fe  Fe168  1  0.700292  0.076469  0.522459  1
  Fe  Fe169  1  0.061095  0.135276  0.505474  1
  Fe  Fe170  1  0.009266  0.331451  0.542478  1
  Fe  Fe171  1  0.343376  0.997297  0.542477  1
  Fe  Fe172  1  0.200476  0.576234  0.522514  1
  Fe  Fe173  1  0.533270  0.243202  0.522566  1
  Fe  Fe174  1  0.561157  0.635114  0.505498  1
  Fe  Fe175  1  0.842740  0.498011  0.542488  1
  Fe  Fe176  1  0.176348  0.164449  0.542487  1
  Fe  Fe177  1  0.510124  0.830509  0.542485  1
  Fe  Fe178  1  0.867214  0.909829  0.522375  1
  Fe  Fe179  1  0.894202  0.301947  0.505496  1
  Fe  Fe180  1  0.227925  0.968483  0.505470  1
  Fe  Fe181  1  0.286070  0.456203  0.568606  1
  Fe  Fe182  1  0.619806  0.122796  0.568464  1
  Fe  Fe183  1  0.570593  0.404421  0.602778  1
  Fe  Fe184  1  0.930716  0.426977  0.586444  1
  Fe  Fe185  1  0.265593  0.093102  0.586300  1
  Fe  Fe186  1  0.598163  0.759143  0.586513  1
  Fe  Fe187  1  0.952429  0.789906  0.568282  1
  Fe  Fe188  1  0.986542  0.150537  0.551359  1
  Fe  Fe189  1  0.320106  0.816559  0.551411  1
  Fe  Fe190  1  0.119184  0.623281  0.568419  1
  Fe  Fe191  1  0.452835  0.289431  0.568614  1
  Fe  Fe192  1  0.404231  0.570748  0.602754  1
  Fe  Fe193  1  0.764164  0.593079  0.586545  1
  Fe  Fe194  1  0.098242  0.260464  0.586305  1
  Fe  Fe195  1  0.432108  0.925671  0.586396  1
  Fe  Fe196  1  0.786244  0.956211  0.568317  1
  Fe  Fe197  1  0.819526  0.317237  0.551438  1
  Fe  Fe198  1  0.153430  0.983615  0.551351  1
  Fe  Fe199  1  0.300440  0.638005  0.560331  1
  Fe  Fe200  1  0.633350  0.305210  0.560376  1
  Fe  Fe201  1  0.584742  0.582346  0.594337  1
  Fe  Fe202  1  0.942399  0.605846  0.577275  1
  Fe  Fe203  1  0.276948  0.271878  0.577477  1
  Fe  Fe204  1  0.610846  0.937480  0.577298  1
  Fe  Fe205  1  0.967068  0.971900  0.560130  1
  Fe  Fe206  1  0.918715  0.249773  0.594137  1
  Fe  Fe207  1  0.252255  0.916216  0.594117  1
  Fe  Fe208  1  0.109044  0.439458  0.577217  1
  Fe  Fe209  1  0.444517  0.104036  0.577246  1
  Fe  Fe210  1  0.466814  0.471422  0.560411  1
  Fe  Fe211  1  0.751289  0.416195  0.594273  1
  Fe  Fe212  1  0.085763  0.083275  0.594061  1
  Fe  Fe213  1  0.418627  0.748853  0.594248  1
  Fe  Fe214  1  0.776585  0.771671  0.577464  1
  Fe  Fe215  1  0.800328  0.138562  0.560219  1
  Fe  Fe216  1  0.133704  0.805107  0.560194  1
  Fe  Fe217  1  0.210447  0.378510  0.619558  1
  Fe  Fe218  1  0.547555  0.041686  0.619725  1
  Fe  Fe219  1  0.493931  0.325041  0.653503  1
  Fe  Fe220  1  0.853044  0.351315  0.637156  1
  Fe  Fe221  1  0.187187  0.018521  0.637056  1
  Fe  Fe222  1  0.519692  0.683836  0.637287  1
  Fe  Fe223  1  0.878773  0.710657  0.620110  1
  Fe  Fe224  1  0.905039  0.071501  0.602310  1
  Fe  Fe225  1  0.237796  0.738171  0.602454  1
  Fe  Fe226  1  0.043936  0.545259  0.619697  1
  Fe  Fe227  1  0.380846  0.208132  0.619579  1
  Fe  Fe228  1  0.326133  0.492815  0.653485  1
  Fe  Fe229  1  0.685925  0.517615  0.637299  1
  Fe  Fe230  1  0.020705  0.185012  0.637066  1
  Fe  Fe231  1  0.353447  0.850892  0.637134  1
  Fe  Fe232  1  0.712922  0.876530  0.620119  1
  Fe  Fe233  1  0.738040  0.237993  0.602491  1
  Fe  Fe234  1  0.071314  0.905199  0.602295  1
  Fe  Fe235  1  0.224076  0.557858  0.610664  1
  Fe  Fe236  1  0.557902  0.224093  0.610698  1
  Fe  Fe237  1  0.505887  0.504752  0.645619  1
  Fe  Fe238  1  0.865971  0.530950  0.629043  1
  Fe  Fe239  1  0.200538  0.197570  0.628915  1
  Fe  Fe240  1  0.533840  0.863080  0.629029  1
  Fe  Fe241  1  0.890890  0.890909  0.610342  1
  Fe  Fe242  1  0.841319  0.172336  0.645100  1
  Fe  Fe243  1  0.173517  0.840105  0.645076  1
  Fe  Fe244  1  0.032746  0.364566  0.628950  1
  Fe  Fe245  1  0.367520  0.029785  0.628945  1
  Fe  Fe246  1  0.390771  0.390697  0.610953  1
  Fe  Fe247  1  0.673154  0.338716  0.645357  1
  Fe  Fe248  1  0.007584  0.006377  0.645049  1
  Fe  Fe249  1  0.339849  0.671970  0.645331  1
  Fe  Fe250  1  0.699862  0.697007  0.629088  1
  Fe  Fe251  1  0.724851  0.057123  0.610408  1
  Fe  Fe252  1  0.057065  0.724847  0.610369  1
  Fe  Fe253  1  0.136516  0.301985  0.671620  1
  Fe  Fe254  1  0.469584  0.965928  0.671444  1
  Fe  Fe255  1  0.407713  0.241319  0.703373  1
  Fe  Fe256  1  0.773876  0.269386  0.687912  1
  Fe  Fe257  1  0.105114  0.937953  0.687859  1
  Fe  Fe258  1  0.437188  0.605400  0.688175  1
  Fe  Fe259  1  0.801650  0.633442  0.671455  1
  Fe  Fe260  1  0.829231  0.993970  0.651857  1
  Fe  Fe261  1  0.161120  0.662027  0.652046  1
  Fe  Fe262  1  0.968148  0.467358  0.671444  1
  Fe  Fe263  1  0.304225  0.134289  0.671624  1
  Fe  Fe264  1  0.242858  0.406117  0.703361  1
  Fe  Fe265  1  0.606871  0.435774  0.688185  1
  Fe  Fe266  1  0.939519  0.103570  0.687870  1
  Fe  Fe267  1  0.270869  0.772316  0.687891  1
  Fe  Fe268  1  0.635627  0.799466  0.671453  1
  Fe  Fe269  1  0.663132  0.160062  0.652079  1
  Fe  Fe270  1  0.995067  0.828114  0.651841  1
  Fe  Fe271  1  0.145510  0.484859  0.661746  1
  Fe  Fe272  1  0.486679  0.143730  0.661785  1
  Fe  Fe273  1  0.424642  0.423296  0.696216  1
  Fe  Fe274  1  0.787609  0.451861  0.679797  1
  Fe  Fe275  1  0.121798  0.119780  0.679654  1
  Fe  Fe276  1  0.453777  0.785663  0.679784  1
  Fe  Fe277  1  0.816606  0.814802  0.662955  1
  Fe  Fe278  1  0.756621  0.085878  0.695059  1
  Fe  Fe279  1  0.087202  0.755241  0.695039  1
  Fe  Fe280  1  0.955180  0.285536  0.679675  1
  Fe  Fe281  1  0.287522  0.953167  0.679662  1
  Fe  Fe282  1  0.315532  0.313759  0.660435  1
  Fe  Fe283  1  0.592665  0.251341  0.695719  1
  Fe  Fe284  1  0.922013  0.920641  0.694977  1
  Fe  Fe285  1  0.252599  0.591250  0.695696  1
  Fe  Fe286  1  0.620167  0.618288  0.679907  1
  Fe  Fe287  1  0.651028  0.980379  0.662940  1
  Fe  Fe288  1  0.982172  0.649208  0.662922  1
