# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.23595394
_cell_length_b   13.23298025
_cell_length_c   48.19858518
_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   8032.4783661
_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  0.712932  0.213625  0.293554  1
  Fe  Fe2  1  0.046510  0.880565  0.293501  1
  Fe  Fe3  1  0.968532  0.136165  0.330269  1
  Fe  Fe4  1  0.341168  0.175777  0.311754  1
  Fe  Fe5  1  0.675123  0.841824  0.311755  1
  Fe  Fe6  1  0.008185  0.508843  0.311768  1
  Fe  Fe7  1  0.379869  0.547197  0.293501  1
  Fe  Fe8  1  0.415188  0.915926  0.276628  1
  Fe  Fe9  1  0.635496  0.469201  0.330269  1
  Fe  Fe10  1  0.879625  0.047074  0.293550  1
  Fe  Fe11  1  0.213333  0.714029  0.293454  1
  Fe  Fe12  1  0.135137  0.969551  0.330198  1
  Fe  Fe13  1  0.507282  0.007940  0.311183  1
  Fe  Fe14  1  0.841667  0.675331  0.311769  1
  Fe  Fe15  1  0.174674  0.342324  0.311769  1
  Fe  Fe16  1  0.546380  0.380316  0.293550  1
  Fe  Fe17  1  0.468882  0.635805  0.330197  1
  Fe  Fe18  1  0.801991  0.302661  0.330268  1
  Fe  Fe19  1  0.693872  0.027778  0.302625  1
  Fe  Fe20  1  0.027510  0.694729  0.302655  1
  Fe  Fe21  1  0.064122  0.065813  0.285004  1
  Fe  Fe22  1  0.320885  0.989781  0.320868  1
  Fe  Fe23  1  0.655520  0.655211  0.320567  1
  Fe  Fe24  1  0.988242  0.322484  0.320521  1
  Fe  Fe25  1  0.360570  0.361452  0.302651  1
  Fe  Fe26  1  0.398933  0.732261  0.284582  1
  Fe  Fe27  1  0.731292  0.398411  0.285025  1
  Fe  Fe28  1  0.897680  0.232025  0.285025  1
  Fe  Fe29  1  0.231548  0.899670  0.284584  1
  Fe  Fe30  1  0.154564  0.156168  0.320568  1
  Fe  Fe31  1  0.527107  0.194543  0.302625  1
  Fe  Fe32  1  0.860783  0.861243  0.302651  1
  Fe  Fe33  1  0.194055  0.528182  0.302655  1
  Fe  Fe34  1  0.565080  0.564848  0.285003  1
  Fe  Fe35  1  0.489123  0.821538  0.320861  1
  Fe  Fe36  1  0.821839  0.488886  0.320521  1
  Fe  Fe37  1  0.595830  0.096470  0.348376  1
  Fe  Fe38  1  0.929488  0.763325  0.348509  1
  Fe  Fe39  1  0.850896  0.018101  0.385657  1
  Fe  Fe40  1  0.223301  0.057838  0.367017  1
  Fe  Fe41  1  0.557215  0.723924  0.367014  1
  Fe  Fe42  1  0.890233  0.390852  0.366897  1
  Fe  Fe43  1  0.262684  0.430129  0.348509  1
  Fe  Fe44  1  0.302493  0.803160  0.329932  1
  Fe  Fe45  1  0.517484  0.351513  0.385657  1
  Fe  Fe46  1  0.762832  0.929963  0.348501  1
  Fe  Fe47  1  0.096086  0.596727  0.348515  1
  Fe  Fe48  1  0.017622  0.851448  0.385643  1
  Fe  Fe49  1  0.390291  0.890909  0.367033  1
  Fe  Fe50  1  0.723724  0.557389  0.366917  1
  Fe  Fe51  1  0.056768  0.224344  0.366917  1
  Fe  Fe52  1  0.429323  0.263473  0.348501  1
  Fe  Fe53  1  0.350832  0.518238  0.385643  1
  Fe  Fe54  1  0.684102  0.184719  0.385626  1
  Fe  Fe55  1  0.576473  0.910518  0.357618  1
  Fe  Fe56  1  0.909741  0.576995  0.357637  1
  Fe  Fe57  1  0.949092  0.949662  0.339309  1
  Fe  Fe58  1  0.204004  0.871176  0.376387  1
  Fe  Fe59  1  0.537219  0.537788  0.376485  1
  Fe  Fe60  1  0.870449  0.204458  0.376500  1
  Fe  Fe61  1  0.243037  0.243720  0.357639  1
  Fe  Fe62  1  0.282389  0.616581  0.339288  1
  Fe  Fe63  1  0.615617  0.282926  0.339315  1
  Fe  Fe64  1  0.782271  0.116272  0.339315  1
  Fe  Fe65  1  0.115926  0.783045  0.339288  1
  Fe  Fe66  1  0.037164  0.037843  0.376486  1
  Fe  Fe67  1  0.409891  0.077105  0.357620  1
  Fe  Fe68  1  0.743092  0.743664  0.357639  1
  Fe  Fe69  1  0.076367  0.410369  0.357637  1
  Fe  Fe70  1  0.449006  0.449747  0.339309  1
  Fe  Fe71  1  0.370553  0.704626  0.376387  1
  Fe  Fe72  1  0.703834  0.371073  0.376500  1
  Fe  Fe73  1  0.478310  0.978907  0.404082  1
  Fe  Fe74  1  0.811592  0.645534  0.404066  1
  Fe  Fe75  1  0.733030  0.900298  0.441211  1
  Fe  Fe76  1  0.105717  0.939561  0.422760  1
  Fe  Fe77  1  0.438976  0.606303  0.422760  1
  Fe  Fe78  1  0.772287  0.272874  0.422786  1
  Fe  Fe79  1  0.144938  0.312188  0.404066  1
  Fe  Fe80  1  0.184220  0.684837  0.385652  1
  Fe  Fe81  1  0.399727  0.233602  0.441211  1
  Fe  Fe82  1  0.644954  0.812252  0.404076  1
  Fe  Fe83  1  0.978252  0.478849  0.404061  1
  Fe  Fe84  1  0.899685  0.733612  0.441215  1
  Fe  Fe85  1  0.272353  0.772938  0.422746  1
  Fe  Fe86  1  0.605647  0.439581  0.422792  1
  Fe  Fe87  1  0.938995  0.106233  0.422792  1
  Fe  Fe88  1  0.311656  0.145552  0.404076  1
  Fe  Fe89  1  0.233040  0.400257  0.441215  1
  Fe  Fe90  1  0.566376  0.066948  0.441210  1
  Fe  Fe91  1  0.458719  0.792572  0.413414  1
  Fe  Fe92  1  0.792024  0.459221  0.413386  1
  Fe  Fe93  1  0.831237  0.831800  0.394851  1
  Fe  Fe94  1  0.086017  0.753243  0.431996  1
  Fe  Fe95  1  0.419319  0.419953  0.431992  1
  Fe  Fe96  1  0.752666  0.086571  0.431986  1
  Fe  Fe97  1  0.125274  0.126018  0.413416  1
  Fe  Fe98  1  0.164526  0.498482  0.394857  1
  Fe  Fe99  1  0.497899  0.165145  0.394825  1
  Fe  Fe100  1  0.664537  0.998505  0.394824  1
  Fe  Fe101  1  0.997875  0.665133  0.394857  1
  Fe  Fe102  1  0.919374  0.919898  0.431992  1
  Fe  Fe103  1  0.291984  0.959307  0.413414  1
  Fe  Fe104  1  0.625428  0.625864  0.413415  1
  Fe  Fe105  1  0.958632  0.292613  0.413386  1
  Fe  Fe106  1  0.331193  0.331844  0.394851  1
  Fe  Fe107  1  0.252663  0.586596  0.431996  1
  Fe  Fe108  1  0.585992  0.253246  0.431986  1
  Fe  Fe109  1  0.360457  0.861012  0.459810  1
  Fe  Fe110  1  0.693804  0.527660  0.459806  1
  Fe  Fe111  1  0.615196  0.782417  0.496890  1
  Fe  Fe112  1  0.987811  0.821700  0.478347  1
  Fe  Fe113  1  0.321157  0.488355  0.478347  1
  Fe  Fe114  1  0.654486  0.155029  0.478344  1
  Fe  Fe115  1  0.027104  0.194360  0.459807  1
  Fe  Fe116  1  0.066355  0.566926  0.441214  1
  Fe  Fe117  1  0.281888  0.115725  0.496891  1
  Fe  Fe118  1  0.527133  0.694337  0.459810  1
  Fe  Fe119  1  0.860440  0.360996  0.459795  1
  Fe  Fe120  1  0.781863  0.615743  0.496871  1
  Fe  Fe121  1  0.154479  0.655022  0.478348  1
  Fe  Fe122  1  0.487826  0.321695  0.478345  1
  Fe  Fe123  1  0.821152  0.988369  0.478345  1
  Fe  Fe124  1  0.193782  0.027688  0.459811  1
  Fe  Fe125  1  0.115214  0.282393  0.496871  1
  Fe  Fe126  1  0.448541  0.949070  0.496898  1
  Fe  Fe127  1  0.340794  0.674695  0.469112  1
  Fe  Fe128  1  0.674120  0.341340  0.469122  1
  Fe  Fe129  1  0.713407  0.713998  0.450483  1
  Fe  Fe130  1  0.968154  0.635390  0.487571  1
  Fe  Fe131  1  0.301545  0.302020  0.487584  1
  Fe  Fe132  1  0.634836  0.968732  0.487590  1
  Fe  Fe133  1  0.007483  0.008003  0.469117  1
  Fe  Fe134  1  0.046741  0.380625  0.450467  1
  Fe  Fe135  1  0.380093  0.047313  0.450492  1
  Fe  Fe136  1  0.546749  0.880656  0.450492  1
  Fe  Fe137  1  0.880062  0.547305  0.450467  1
  Fe  Fe138  1  0.801483  0.802081  0.487584  1
  Fe  Fe139  1  0.174145  0.841343  0.469112  1
  Fe  Fe140  1  0.507453  0.508033  0.469117  1
  Fe  Fe141  1  0.840790  0.174670  0.469122  1
  Fe  Fe142  1  0.213435  0.213971  0.450483  1
  Fe  Fe143  1  0.134853  0.468690  0.487571  1
  Fe  Fe144  1  0.468196  0.135372  0.487590  1
  Fe  Fe145  1  0.242602  0.743116  0.515475  1
  Fe  Fe146  1  0.575943  0.409782  0.515476  1
  Fe  Fe147  1  0.497399  0.664502  0.552594  1
  Fe  Fe148  1  0.869936  0.703860  0.533931  1
  Fe  Fe149  1  0.203359  0.370437  0.533931  1
  Fe  Fe150  1  0.536649  0.037149  0.533969  1
  Fe  Fe151  1  0.909267  0.076457  0.515476  1
  Fe  Fe152  1  0.948527  0.449056  0.496857  1
  Fe  Fe153  1  0.164015  0.997886  0.552594  1
  Fe  Fe154  1  0.409280  0.576444  0.515474  1
  Fe  Fe155  1  0.742604  0.243118  0.515478  1
  Fe  Fe156  1  0.664052  0.497839  0.552589  1
  Fe  Fe157  1  0.036638  0.537139  0.533907  1
  Fe  Fe158  1  0.370029  0.203769  0.533959  1
  Fe  Fe159  1  0.703268  0.870530  0.533959  1
  Fe  Fe160  1  0.075930  0.909794  0.515474  1
  Fe  Fe161  1  0.997352  0.164539  0.552589  1
  Fe  Fe162  1  0.330707  0.831194  0.552602  1
  Fe  Fe163  1  0.222977  0.556774  0.524696  1
  Fe  Fe164  1  0.556315  0.223464  0.524706  1
  Fe  Fe165  1  0.595585  0.596091  0.506198  1
  Fe  Fe166  1  0.850319  0.517473  0.543254  1
  Fe  Fe167  1  0.183660  0.184153  0.543278  1
  Fe  Fe168  1  0.516987  0.850828  0.543306  1
  Fe  Fe169  1  0.889601  0.890170  0.524705  1
  Fe  Fe170  1  0.928897  0.262764  0.506192  1
  Fe  Fe171  1  0.262243  0.929433  0.506206  1
  Fe  Fe172  1  0.428912  0.762765  0.506205  1
  Fe  Fe173  1  0.762242  0.429418  0.506191  1
  Fe  Fe174  1  0.683658  0.684155  0.543278  1
  Fe  Fe175  1  0.056267  0.723484  0.524697  1
  Fe  Fe176  1  0.389662  0.390108  0.524705  1
  Fe  Fe177  1  0.722957  0.056822  0.524706  1
  Fe  Fe178  1  0.095569  0.096106  0.506198  1
  Fe  Fe179  1  0.016978  0.350814  0.543255  1
  Fe  Fe180  1  0.350333  0.017482  0.543306  1
  Fe  Fe181  1  0.124762  0.625233  0.571021  1
  Fe  Fe182  1  0.458163  0.291863  0.571065  1
  Fe  Fe183  1  0.379661  0.546624  0.608198  1
  Fe  Fe184  1  0.752116  0.585852  0.589676  1
  Fe  Fe185  1  0.085389  0.252578  0.589677  1
  Fe  Fe186  1  0.418771  0.919234  0.589743  1
  Fe  Fe187  1  0.791392  0.958634  0.571065  1
  Fe  Fe188  1  0.830704  0.331191  0.552589  1
  Fe  Fe189  1  0.046181  0.880104  0.608198  1
  Fe  Fe190  1  0.291506  0.458512  0.571051  1
  Fe  Fe191  1  0.624784  0.125255  0.571066  1
  Fe  Fe192  1  0.546306  0.379969  0.608208  1
  Fe  Fe193  1  0.918762  0.419225  0.589675  1
  Fe  Fe194  1  0.252066  0.085928  0.589710  1
  Fe  Fe195  1  0.585466  0.752529  0.589710  1
  Fe  Fe196  1  0.958040  0.791977  0.571051  1
  Fe  Fe197  1  0.879526  0.046749  0.608208  1
  Fe  Fe198  1  0.212883  0.713326  0.608149  1
  Fe  Fe199  1  0.105137  0.438894  0.580229  1
  Fe  Fe200  1  0.438494  0.105501  0.580346  1
  Fe  Fe201  1  0.477784  0.478200  0.561841  1
  Fe  Fe202  1  0.732540  0.399623  0.599002  1
  Fe  Fe203  1  0.065793  0.066346  0.599001  1
  Fe  Fe204  1  0.399237  0.732916  0.598986  1
  Fe  Fe205  1  0.771683  0.772336  0.580292  1
  Fe  Fe206  1  0.811078  0.144916  0.561844  1
  Fe  Fe207  1  0.144380  0.811584  0.561831  1
  Fe  Fe208  1  0.311106  0.644859  0.561831  1
  Fe  Fe209  1  0.644437  0.311557  0.561844  1
  Fe  Fe210  1  0.565893  0.566247  0.599001  1
  Fe  Fe211  1  0.938428  0.605602  0.580229  1
  Fe  Fe212  1  0.271870  0.272149  0.580292  1
  Fe  Fe213  1  0.605035  0.938960  0.580346  1
  Fe  Fe214  1  0.977721  0.978263  0.561841  1
  Fe  Fe215  1  0.899170  0.232994  0.599002  1
  Fe  Fe216  1  0.232463  0.899689  0.598986  1
  Fe  Fe217  1  0.006953  0.507381  0.626500  1
  Fe  Fe218  1  0.340385  0.173756  0.626672  1
  Fe  Fe219  1  0.261823  0.428947  0.663676  1
  Fe  Fe220  1  0.634478  0.468076  0.645439  1
  Fe  Fe221  1  0.967654  0.134900  0.645439  1
  Fe  Fe222  1  0.300951  0.801371  0.645313  1
  Fe  Fe223  1  0.673326  0.840816  0.626674  1
  Fe  Fe224  1  0.712915  0.213358  0.608211  1
  Fe  Fe225  1  0.928554  0.762216  0.663676  1
  Fe  Fe226  1  0.173596  0.340701  0.626510  1
  Fe  Fe227  1  0.506821  0.007248  0.626782  1
  Fe  Fe228  1  0.428341  0.261766  0.663792  1
  Fe  Fe229  1  0.801059  0.301480  0.645432  1
  Fe  Fe230  1  0.134380  0.968265  0.645430  1
  Fe  Fe231  1  0.467843  0.634801  0.645430  1
  Fe  Fe232  1  0.840274  0.674023  0.626510  1
  Fe  Fe233  1  0.761373  0.928735  0.663793  1
  Fe  Fe234  1  0.095220  0.595613  0.663645  1
  Fe  Fe235  1  0.987176  0.320990  0.636174  1
  Fe  Fe236  1  0.320447  0.987757  0.636193  1
  Fe  Fe237  1  0.360019  0.360205  0.617409  1
  Fe  Fe238  1  0.614710  0.281681  0.654564  1
  Fe  Fe239  1  0.947920  0.948594  0.654549  1
  Fe  Fe240  1  0.281519  0.615166  0.654491  1
  Fe  Fe241  1  0.653914  0.654164  0.636170  1
  Fe  Fe242  1  0.693183  0.027044  0.617418  1
  Fe  Fe243  1  0.026575  0.693750  0.617342  1
  Fe  Fe244  1  0.193316  0.527008  0.617342  1
  Fe  Fe245  1  0.526610  0.193616  0.617418  1
  Fe  Fe246  1  0.448186  0.448327  0.654549  1
  Fe  Fe247  1  0.820557  0.487609  0.636174  1
  Fe  Fe248  1  0.153733  0.154346  0.636171  1
  Fe  Fe249  1  0.487327  0.820880  0.636193  1
  Fe  Fe250  1  0.859771  0.860453  0.617409  1
  Fe  Fe251  1  0.781273  0.115118  0.654564  1
  Fe  Fe252  1  0.114758  0.781928  0.654491  1
  Fe  Fe253  1  0.889140  0.389550  0.682552  1
  Fe  Fe254  1  0.222570  0.056365  0.682566  1
  Fe  Fe255  1  0.145751  0.314422  0.717971  1
  Fe  Fe256  1  0.516934  0.350410  0.700394  1
  Fe  Fe257  1  0.850038  0.017311  0.700394  1
  Fe  Fe258  1  0.183800  0.684177  0.700309  1
  Fe  Fe259  1  0.555961  0.722971  0.682565  1
  Fe  Fe260  1  0.594924  0.095316  0.663754  1
  Fe  Fe261  1  0.814106  0.646064  0.717971  1
  Fe  Fe262  1  0.055854  0.222952  0.682566  1
  Fe  Fe263  1  0.388596  0.888997  0.682072  1
  Fe  Fe264  1  0.310632  0.150241  0.717710  1
  Fe  Fe265  1  0.683185  0.183561  0.700424  1
  Fe  Fe266  1  0.017168  0.850800  0.700338  1
  Fe  Fe267  1  0.350423  0.517544  0.700339  1
  Fe  Fe268  1  0.722543  0.556263  0.682566  1
  Fe  Fe269  1  0.649921  0.810942  0.717709  1
  Fe  Fe270  1  0.979858  0.480173  0.717985  1
  Fe  Fe271  1  0.869257  0.203121  0.691296  1
  Fe  Fe272  1  0.202885  0.869959  0.691225  1
  Fe  Fe273  1  0.241884  0.242835  0.672678  1
  Fe  Fe274  1  0.497336  0.164826  0.709356  1
  Fe  Fe275  1  0.831840  0.831518  0.709451  1
  Fe  Fe276  1  0.164607  0.498612  0.709417  1
  Fe  Fe277  1  0.536226  0.536442  0.691281  1
  Fe  Fe278  1  0.574931  0.909078  0.673134  1
  Fe  Fe279  1  0.908985  0.575765  0.672718  1
  Fe  Fe280  1  0.075383  0.409367  0.672718  1
  Fe  Fe281  1  0.408686  0.075322  0.673129  1
  Fe  Fe282  1  0.331166  0.332194  0.709450  1
  Fe  Fe283  1  0.702727  0.369651  0.691296  1
  Fe  Fe284  1  0.036052  0.036620  0.691281  1
  Fe  Fe285  1  0.369567  0.703276  0.691225  1
  Fe  Fe286  1  0.742452  0.742267  0.672678  1
  Fe  Fe287  1  0.664486  0.997687  0.709357  1
  Fe  Fe288  1  0.998257  0.664961  0.709417  1
