# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.12189764
_cell_length_b   13.12320583
_cell_length_c   48.24182351
_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   7904.28634079
_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  0.627199  0.961034  0.331791  1
  Fe  Fe2  1  0.078010  0.745566  0.276618  1
  Fe  Fe3  1  0.998553  1.001092  0.312575  1
  Fe  Fe4  1  0.371087  0.038118  0.293546  1
  Fe  Fe5  1  0.704015  0.704996  0.293640  1
  Fe  Fe6  1  0.037522  0.371515  0.293641  1
  Fe  Fe7  1  0.411399  0.410261  0.277223  1
  Fe  Fe8  1  0.333367  0.666939  0.312802  1
  Fe  Fe9  1  0.665105  0.331569  0.311192  1
  Fe  Fe10  1  0.830872  0.165817  0.311196  1
  Fe  Fe11  1  0.166246  0.834060  0.312801  1
  Fe  Fe12  1  0.204327  0.204689  0.293641  1
  Fe  Fe13  1  0.460365  0.127867  0.331792  1
  Fe  Fe14  1  0.909648  0.911989  0.277219  1
  Fe  Fe15  1  0.244957  0.578621  0.276618  1
  Fe  Fe16  1  0.500398  0.499249  0.312579  1
  Fe  Fe17  1  0.537443  0.871758  0.293546  1
  Fe  Fe18  1  0.870843  0.538192  0.293641  1
  Fe  Fe19  1  0.646975  0.147660  0.321419  1
  Fe  Fe20  1  0.980240  0.813580  0.323184  1
  Fe  Fe21  1  0.017516  0.185191  0.302334  1
  Fe  Fe22  1  0.392101  0.224568  0.285072  1
  Fe  Fe23  1  0.723914  0.892744  0.285068  1
  Fe  Fe24  1  0.057225  0.557874  0.284717  1
  Fe  Fe25  1  0.312915  0.480905  0.323185  1
  Fe  Fe26  1  0.350757  0.851442  0.302052  1
  Fe  Fe27  1  0.684504  0.518201  0.302333  1
  Fe  Fe28  1  0.812775  0.981336  0.322667  1
  Fe  Fe29  1  0.146681  0.647345  0.323050  1
  Fe  Fe30  1  0.183898  0.018157  0.302074  1
  Fe  Fe31  1  0.559726  0.060374  0.285114  1
  Fe  Fe32  1  0.890429  0.724133  0.284781  1
  Fe  Fe33  1  0.223490  0.391082  0.284782  1
  Fe  Fe34  1  0.480656  0.313450  0.322676  1
  Fe  Fe35  1  0.517471  0.684582  0.302073  1
  Fe  Fe36  1  0.851273  0.351963  0.302605  1
  Fe  Fe37  1  0.509016  0.843179  0.387121  1
  Fe  Fe38  1  0.960030  0.627127  0.332036  1
  Fe  Fe39  1  0.881764  0.882676  0.369002  1
  Fe  Fe40  1  0.254543  0.921897  0.350089  1
  Fe  Fe41  1  0.587730  0.588287  0.350065  1
  Fe  Fe42  1  0.920570  0.254709  0.349949  1
  Fe  Fe43  1  0.292877  0.294187  0.332101  1
  Fe  Fe44  1  0.215151  0.549219  0.369053  1
  Fe  Fe45  1  0.548824  0.215746  0.368825  1
  Fe  Fe46  1  0.715058  0.049512  0.368822  1
  Fe  Fe47  1  0.048530  0.715841  0.369052  1
  Fe  Fe48  1  0.087598  0.088418  0.350065  1
  Fe  Fe49  1  0.342484  0.009711  0.387121  1
  Fe  Fe50  1  0.793518  0.793549  0.332099  1
  Fe  Fe51  1  0.126457  0.460698  0.332037  1
  Fe  Fe52  1  0.381984  0.382454  0.369006  1
  Fe  Fe53  1  0.421209  0.755231  0.350089  1
  Fe  Fe54  1  0.754016  0.421260  0.349948  1
  Fe  Fe55  1  0.528792  0.029480  0.377884  1
  Fe  Fe56  1  0.861969  0.695980  0.378139  1
  Fe  Fe57  1  0.901282  0.069365  0.359523  1
  Fe  Fe58  1  0.273713  0.107521  0.340819  1
  Fe  Fe59  1  0.606843  0.774391  0.340818  1
  Fe  Fe60  1  0.940198  0.440878  0.341024  1
  Fe  Fe61  1  0.195289  0.362658  0.378140  1
  Fe  Fe62  1  0.235083  0.735778  0.359745  1
  Fe  Fe63  1  0.568671  0.401977  0.359525  1
  Fe  Fe64  1  0.695268  0.862870  0.378012  1
  Fe  Fe65  1  0.028593  0.529283  0.378149  1
  Fe  Fe66  1  0.068204  0.902619  0.359711  1
  Fe  Fe67  1  0.440446  0.941123  0.340743  1
  Fe  Fe68  1  0.773489  0.607476  0.340956  1
  Fe  Fe69  1  0.106796  0.274168  0.340956  1
  Fe  Fe70  1  0.362181  0.195956  0.378013  1
  Fe  Fe71  1  0.401923  0.568898  0.359713  1
  Fe  Fe72  1  0.734771  0.235471  0.359222  1
  Fe  Fe73  1  0.391110  0.725185  0.442719  1
  Fe  Fe74  1  0.842172  0.509609  0.387191  1
  Fe  Fe75  1  0.763618  0.764455  0.424223  1
  Fe  Fe76  1  0.136487  0.803879  0.405881  1
  Fe  Fe77  1  0.469857  0.470481  0.405833  1
  Fe  Fe78  1  0.803028  0.137176  0.405698  1
  Fe  Fe79  1  0.175782  0.176263  0.387162  1
  Fe  Fe80  1  0.096998  0.431006  0.424267  1
  Fe  Fe81  1  0.430397  0.097679  0.424161  1
  Fe  Fe82  1  0.596972  0.931105  0.424161  1
  Fe  Fe83  1  0.930298  0.597707  0.424267  1
  Fe  Fe84  1  0.969775  0.970563  0.405831  1
  Fe  Fe85  1  0.224468  0.891828  0.442719  1
  Fe  Fe86  1  0.675568  0.676477  0.387162  1
  Fe  Fe87  1  0.008913  0.342868  0.387191  1
  Fe  Fe88  1  0.263747  0.264326  0.424224  1
  Fe  Fe89  1  0.303172  0.637193  0.405881  1
  Fe  Fe90  1  0.636470  0.303735  0.405700  1
  Fe  Fe91  1  0.410747  0.911459  0.433400  1
  Fe  Fe92  1  0.743986  0.578129  0.433402  1
  Fe  Fe93  1  0.783340  0.950803  0.415034  1
  Fe  Fe94  1  0.156212  0.990169  0.396480  1
  Fe  Fe95  1  0.489467  0.656914  0.396480  1
  Fe  Fe96  1  0.822607  0.323311  0.396311  1
  Fe  Fe97  1  0.077416  0.244699  0.433403  1
  Fe  Fe98  1  0.116711  0.617418  0.415130  1
  Fe  Fe99  1  0.450097  0.284045  0.415036  1
  Fe  Fe100  1  0.577360  0.744841  0.433406  1
  Fe  Fe101  1  0.910642  0.411355  0.433384  1
  Fe  Fe102  1  0.950040  0.784118  0.415112  1
  Fe  Fe103  1  0.322857  0.823559  0.396492  1
  Fe  Fe104  1  0.656056  0.490137  0.396409  1
  Fe  Fe105  1  0.989433  0.156758  0.396409  1
  Fe  Fe106  1  0.244128  0.078072  0.433407  1
  Fe  Fe107  1  0.283411  0.450747  0.415113  1
  Fe  Fe108  1  0.616691  0.117395  0.414972  1
  Fe  Fe109  1  0.273042  0.607124  0.498186  1
  Fe  Fe110  1  0.724392  0.391771  0.442608  1
  Fe  Fe111  1  0.645708  0.646503  0.479630  1
  Fe  Fe112  1  0.018361  0.685758  0.461261  1
  Fe  Fe113  1  0.351719  0.352404  0.461218  1
  Fe  Fe114  1  0.685001  0.019084  0.461156  1
  Fe  Fe115  1  0.057793  0.058480  0.442683  1
  Fe  Fe116  1  0.979064  0.313097  0.479604  1
  Fe  Fe117  1  0.312421  0.979783  0.479638  1
  Fe  Fe118  1  0.479053  0.813151  0.479638  1
  Fe  Fe119  1  0.812368  0.479793  0.479604  1
  Fe  Fe120  1  0.851682  0.852442  0.461217  1
  Fe  Fe121  1  0.106388  0.773778  0.498186  1
  Fe  Fe122  1  0.557762  0.558511  0.442683  1
  Fe  Fe123  1  0.891053  0.225109  0.442607  1
  Fe  Fe124  1  0.145773  0.146437  0.479630  1
  Fe  Fe125  1  0.185035  0.519083  0.461261  1
  Fe  Fe126  1  0.518362  0.185722  0.461156  1
  Fe  Fe127  1  0.292747  0.793480  0.488916  1
  Fe  Fe128  1  0.626062  0.460152  0.488841  1
  Fe  Fe129  1  0.665334  0.832789  0.470398  1
  Fe  Fe130  1  0.038086  0.872146  0.452007  1
  Fe  Fe131  1  0.371425  0.538806  0.452008  1
  Fe  Fe132  1  0.704714  0.205433  0.451884  1
  Fe  Fe133  1  0.959419  0.126795  0.488841  1
  Fe  Fe134  1  0.998680  0.499405  0.470439  1
  Fe  Fe135  1  0.332063  0.166059  0.470399  1
  Fe  Fe136  1  0.459401  0.626836  0.488896  1
  Fe  Fe137  1  0.792722  0.293455  0.488804  1
  Fe  Fe138  1  0.832002  0.666117  0.470430  1
  Fe  Fe139  1  0.204751  0.705471  0.452029  1
  Fe  Fe140  1  0.538093  0.372104  0.451936  1
  Fe  Fe141  1  0.871384  0.038813  0.451935  1
  Fe  Fe142  1  0.126102  0.960134  0.488897  1
  Fe  Fe143  1  0.165391  0.332727  0.470431  1
  Fe  Fe144  1  0.498689  0.999414  0.470376  1
  Fe  Fe145  1  0.155061  0.489121  0.553660  1
  Fe  Fe146  1  0.606357  0.273762  0.498070  1
  Fe  Fe147  1  0.527690  0.528515  0.535038  1
  Fe  Fe148  1  0.900373  0.567815  0.516638  1
  Fe  Fe149  1  0.233749  0.234428  0.516626  1
  Fe  Fe150  1  0.567008  0.901116  0.516600  1
  Fe  Fe151  1  0.939720  0.940441  0.498135  1
  Fe  Fe152  1  0.861066  0.195108  0.534973  1
  Fe  Fe153  1  0.194409  0.861788  0.535090  1
  Fe  Fe154  1  0.361039  0.695158  0.535089  1
  Fe  Fe155  1  0.694360  0.361814  0.534972  1
  Fe  Fe156  1  0.733686  0.734491  0.516626  1
  Fe  Fe157  1  0.988368  0.655814  0.553660  1
  Fe  Fe158  1  0.439706  0.440456  0.498135  1
  Fe  Fe159  1  0.773027  0.107092  0.498070  1
  Fe  Fe160  1  0.027766  0.028439  0.535038  1
  Fe  Fe161  1  0.067073  0.401115  0.516638  1
  Fe  Fe162  1  0.400373  0.067750  0.516601  1
  Fe  Fe163  1  0.174686  0.675436  0.544383  1
  Fe  Fe164  1  0.507971  0.342104  0.544260  1
  Fe  Fe165  1  0.547369  0.714857  0.525843  1
  Fe  Fe166  1  0.920024  0.754107  0.507421  1
  Fe  Fe167  1  0.253369  0.420762  0.507422  1
  Fe  Fe168  1  0.586660  0.087397  0.507327  1
  Fe  Fe169  1  0.841353  0.008722  0.544261  1
  Fe  Fe170  1  0.880742  0.381487  0.525789  1
  Fe  Fe171  1  0.214111  0.048116  0.525844  1
  Fe  Fe172  1  0.341331  0.508791  0.544346  1
  Fe  Fe173  1  0.674641  0.175391  0.544211  1
  Fe  Fe174  1  0.714046  0.548201  0.525812  1
  Fe  Fe175  1  0.086696  0.587433  0.507446  1
  Fe  Fe176  1  0.420017  0.254076  0.507362  1
  Fe  Fe177  1  0.753338  0.920756  0.507362  1
  Fe  Fe178  1  0.008040  0.842082  0.544346  1
  Fe  Fe179  1  0.047455  0.214791  0.525813  1
  Fe  Fe180  1  0.380726  0.881473  0.525853  1
  Fe  Fe181  1  0.037281  0.371243  0.609011  1
  Fe  Fe182  1  0.488303  0.155715  0.553535  1
  Fe  Fe183  1  0.409578  0.410442  0.590498  1
  Fe  Fe184  1  0.782379  0.449917  0.571943  1
  Fe  Fe185  1  0.115845  0.116438  0.572011  1
  Fe  Fe186  1  0.449028  0.783189  0.572059  1
  Fe  Fe187  1  0.821674  0.822451  0.553606  1
  Fe  Fe188  1  0.742922  0.076973  0.590374  1
  Fe  Fe189  1  0.076334  0.743757  0.590602  1
  Fe  Fe190  1  0.242994  0.577098  0.590603  1
  Fe  Fe191  1  0.576207  0.243686  0.590373  1
  Fe  Fe192  1  0.615675  0.616609  0.572010  1
  Fe  Fe193  1  0.870466  0.538056  0.609011  1
  Fe  Fe194  1  0.321697  0.322428  0.553606  1
  Fe  Fe195  1  0.654961  0.989058  0.553535  1
  Fe  Fe196  1  0.909677  0.910344  0.590499  1
  Fe  Fe197  1  0.949155  0.283141  0.571944  1
  Fe  Fe198  1  0.282425  0.949792  0.572059  1
  Fe  Fe199  1  0.056791  0.557559  0.599918  1
  Fe  Fe200  1  0.390003  0.224052  0.599814  1
  Fe  Fe201  1  0.429299  0.596851  0.581225  1
  Fe  Fe202  1  0.802046  0.636255  0.562848  1
  Fe  Fe203  1  0.135497  0.302805  0.562848  1
  Fe  Fe204  1  0.468675  0.969434  0.562830  1
  Fe  Fe205  1  0.723282  0.890774  0.599814  1
  Fe  Fe206  1  0.762667  0.263429  0.581062  1
  Fe  Fe207  1  0.096086  0.930064  0.581227  1
  Fe  Fe208  1  0.223505  0.390832  0.599914  1
  Fe  Fe209  1  0.556569  0.057340  0.599760  1
  Fe  Fe210  1  0.595954  0.430180  0.581122  1
  Fe  Fe211  1  0.968771  0.469529  0.562839  1
  Fe  Fe212  1  0.302101  0.136085  0.562839  1
  Fe  Fe213  1  0.635326  0.802860  0.562839  1
  Fe  Fe214  1  0.890062  0.724273  0.599912  1
  Fe  Fe215  1  0.929417  0.096718  0.581124  1
  Fe  Fe216  1  0.262677  0.763441  0.581266  1
  Fe  Fe217  1  0.919463  0.253987  0.663983  1
  Fe  Fe218  1  0.370402  0.037750  0.609092  1
  Fe  Fe219  1  0.292031  0.292917  0.646270  1
  Fe  Fe220  1  0.664055  0.331786  0.627110  1
  Fe  Fe221  1  0.997683  0.998007  0.627299  1
  Fe  Fe222  1  0.330747  0.664872  0.627444  1
  Fe  Fe223  1  0.703689  0.704705  0.609062  1
  Fe  Fe224  1  0.625125  0.959113  0.646161  1
  Fe  Fe225  1  0.958920  0.626380  0.646260  1
  Fe  Fe226  1  0.125599  0.459703  0.646261  1
  Fe  Fe227  1  0.458327  0.125910  0.646161  1
  Fe  Fe228  1  0.497227  0.498465  0.627295  1
  Fe  Fe229  1  0.753187  0.420265  0.663981  1
  Fe  Fe230  1  0.203928  0.204467  0.609063  1
  Fe  Fe231  1  0.536972  0.871180  0.609091  1
  Fe  Fe232  1  0.792130  0.792813  0.646268  1
  Fe  Fe233  1  0.831009  0.164832  0.627113  1
  Fe  Fe234  1  0.164093  0.831525  0.627445  1
  Fe  Fe235  1  0.939372  0.440164  0.655119  1
  Fe  Fe236  1  0.272402  0.106478  0.655324  1
  Fe  Fe237  1  0.311180  0.478849  0.636987  1
  Fe  Fe238  1  0.683920  0.518324  0.618086  1
  Fe  Fe239  1  0.017543  0.184702  0.618088  1
  Fe  Fe240  1  0.350597  0.851380  0.618251  1
  Fe  Fe241  1  0.605682  0.773198  0.655323  1
  Fe  Fe242  1  0.644338  0.145115  0.636535  1
  Fe  Fe243  1  0.978074  0.811952  0.636985  1
  Fe  Fe244  1  0.105955  0.273170  0.655185  1
  Fe  Fe245  1  0.439103  0.939900  0.655394  1
  Fe  Fe246  1  0.477427  0.312163  0.636675  1
  Fe  Fe247  1  0.850795  0.351575  0.617973  1
  Fe  Fe248  1  0.184004  0.018030  0.618232  1
  Fe  Fe249  1  0.517248  0.684787  0.618231  1
  Fe  Fe250  1  0.772375  0.606748  0.655184  1
  Fe  Fe251  1  0.811387  0.978206  0.636677  1
  Fe  Fe252  1  0.144644  0.645419  0.637013  1
  Fe  Fe253  1  0.803027  0.136050  0.718903  1
  Fe  Fe254  1  0.252252  0.919945  0.664262  1
  Fe  Fe255  1  0.175299  0.175778  0.702569  1
  Fe  Fe256  1  0.545952  0.214805  0.683634  1
  Fe  Fe257  1  0.881986  0.881611  0.684960  1
  Fe  Fe258  1  0.214879  0.549221  0.685096  1
  Fe  Fe259  1  0.585916  0.586328  0.664273  1
  Fe  Fe260  1  0.508516  0.842685  0.702580  1
  Fe  Fe261  1  0.841790  0.509546  0.702473  1
  Fe  Fe262  1  0.008744  0.342595  0.702474  1
  Fe  Fe263  1  0.341882  0.009320  0.702581  1
  Fe  Fe264  1  0.380849  0.382766  0.684964  1
  Fe  Fe265  1  0.635155  0.303903  0.718899  1
  Fe  Fe266  1  0.085522  0.086718  0.664276  1
  Fe  Fe267  1  0.419143  0.753056  0.664261  1
  Fe  Fe268  1  0.674973  0.676101  0.702568  1
  Fe  Fe269  1  0.714028  0.046732  0.683637  1
  Fe  Fe270  1  0.048443  0.715654  0.685095  1
  Fe  Fe271  1  0.822804  0.323638  0.711259  1
  Fe  Fe272  1  0.153505  0.987825  0.710845  1
  Fe  Fe273  1  0.194814  0.362382  0.693573  1
  Fe  Fe274  1  0.565426  0.400739  0.673475  1
  Fe  Fe275  1  0.899942  0.066217  0.673486  1
  Fe  Fe276  1  0.232647  0.733426  0.674379  1
  Fe  Fe277  1  0.486992  0.654336  0.710844  1
  Fe  Fe278  1  0.528864  0.029653  0.694095  1
  Fe  Fe279  1  0.861593  0.695596  0.693572  1
  Fe  Fe280  1  0.988873  0.154817  0.711037  1
  Fe  Fe281  1  0.320822  0.821654  0.710704  1
  Fe  Fe282  1  0.361620  0.196016  0.693858  1
  Fe  Fe283  1  0.732946  0.233750  0.672819  1
  Fe  Fe284  1  0.065568  0.900273  0.674554  1
  Fe  Fe285  1  0.399492  0.566352  0.674553  1
  Fe  Fe286  1  0.653981  0.489701  0.711032  1
  Fe  Fe287  1  0.695226  0.862406  0.693857  1
  Fe  Fe288  1  0.028286  0.529073  0.693558  1
