# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.12068943
_cell_length_b   13.12032026
_cell_length_c   48.07102597
_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   7873.84473016
_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  0.504817  0.918637  0.344334  1
  Fe  Fe2  1  0.986684  0.719528  0.292793  1
  Fe  Fe3  1  0.960844  0.891908  0.326840  1
  Fe  Fe4  1  0.299339  0.978253  0.306933  1
  Fe  Fe5  1  0.633411  0.645534  0.306902  1
  Fe  Fe6  1  0.967079  0.311642  0.306967  1
  Fe  Fe7  1  0.319827  0.386274  0.292743  1
  Fe  Fe8  1  0.293846  0.559171  0.326597  1
  Fe  Fe9  1  0.625827  0.228461  0.327031  1
  Fe  Fe10  1  0.791138  0.058936  0.325666  1
  Fe  Fe11  1  0.127523  0.725612  0.326612  1
  Fe  Fe12  1  0.133106  0.145038  0.306933  1
  Fe  Fe13  1  0.485229  0.220202  0.293232  1
  Fe  Fe14  1  0.820454  0.884369  0.293395  1
  Fe  Fe15  1  0.153256  0.552977  0.292728  1
  Fe  Fe16  1  0.460019  0.392867  0.326661  1
  Fe  Fe17  1  0.467817  0.812326  0.306949  1
  Fe  Fe18  1  0.800324  0.478277  0.307004  1
  Fe  Fe19  1  0.565210  0.074767  0.335901  1
  Fe  Fe20  1  0.895857  0.742050  0.337819  1
  Fe  Fe21  1  0.964825  0.100212  0.316310  1
  Fe  Fe22  1  0.287384  0.208800  0.300578  1
  Fe  Fe23  1  0.622448  0.876537  0.300860  1
  Fe  Fe24  1  0.954699  0.541707  0.300569  1
  Fe  Fe25  1  0.228200  0.409776  0.337692  1
  Fe  Fe26  1  0.299464  0.767218  0.316332  1
  Fe  Fe27  1  0.632094  0.434136  0.316459  1
  Fe  Fe28  1  0.730525  0.906920  0.338445  1
  Fe  Fe29  1  0.061974  0.576132  0.337707  1
  Fe  Fe30  1  0.131935  0.933593  0.316376  1
  Fe  Fe31  1  0.451767  0.042400  0.300438  1
  Fe  Fe32  1  0.788193  0.707711  0.300727  1
  Fe  Fe33  1  0.121139  0.375279  0.300524  1
  Fe  Fe34  1  0.394172  0.243548  0.337860  1
  Fe  Fe35  1  0.465661  0.600683  0.316367  1
  Fe  Fe36  1  0.798926  0.267935  0.316503  1
  Fe  Fe37  1  0.410550  0.750594  0.399501  1
  Fe  Fe38  1  0.837965  0.584608  0.344366  1
  Fe  Fe39  1  0.792976  0.771920  0.382137  1
  Fe  Fe40  1  0.158158  0.844106  0.361556  1
  Fe  Fe41  1  0.491205  0.510985  0.361558  1
  Fe  Fe42  1  0.824094  0.175915  0.361252  1
  Fe  Fe43  1  0.170879  0.251565  0.344280  1
  Fe  Fe44  1  0.126032  0.438951  0.382058  1
  Fe  Fe45  1  0.461284  0.105718  0.381349  1
  Fe  Fe46  1  0.625983  0.939217  0.382044  1
  Fe  Fe47  1  0.959607  0.605467  0.382089  1
  Fe  Fe48  1  0.990673  0.011185  0.361448  1
  Fe  Fe49  1  0.338279  0.084802  0.344191  1
  Fe  Fe50  1  0.671102  0.751061  0.344360  1
  Fe  Fe51  1  0.004465  0.418222  0.344313  1
  Fe  Fe52  1  0.292339  0.272392  0.382079  1
  Fe  Fe53  1  0.324725  0.677483  0.361525  1
  Fe  Fe54  1  0.658026  0.344813  0.361767  1
  Fe  Fe55  1  0.430945  0.928124  0.390435  1
  Fe  Fe56  1  0.764254  0.594197  0.390527  1
  Fe  Fe57  1  0.841414  0.947714  0.372503  1
  Fe  Fe58  1  0.155590  0.058849  0.352610  1
  Fe  Fe59  1  0.489031  0.725828  0.352640  1
  Fe  Fe60  1  0.822442  0.392299  0.352753  1
  Fe  Fe61  1  0.097367  0.260871  0.390450  1
  Fe  Fe62  1  0.174513  0.614141  0.372336  1
  Fe  Fe63  1  0.507739  0.280813  0.372277  1
  Fe  Fe64  1  0.597489  0.761096  0.390504  1
  Fe  Fe65  1  0.930978  0.427478  0.390524  1
  Fe  Fe66  1  0.008062  0.780714  0.372401  1
  Fe  Fe67  1  0.322559  0.892330  0.352637  1
  Fe  Fe68  1  0.655697  0.559151  0.352665  1
  Fe  Fe69  1  0.988678  0.225298  0.352631  1
  Fe  Fe70  1  0.264488  0.094232  0.390381  1
  Fe  Fe71  1  0.340923  0.447584  0.372348  1
  Fe  Fe72  1  0.672985  0.113900  0.372207  1
  Fe  Fe73  1  0.334714  0.667751  0.450157  1
  Fe  Fe74  1  0.743914  0.417252  0.399646  1
  Fe  Fe75  1  0.695891  0.691821  0.433517  1
  Fe  Fe76  1  0.056124  0.712161  0.418077  1
  Fe  Fe77  1  0.389340  0.378928  0.418016  1
  Fe  Fe78  1  0.722887  0.045748  0.417989  1
  Fe  Fe79  1  0.077382  0.083527  0.399482  1
  Fe  Fe80  1  0.029265  0.358234  0.433512  1
  Fe  Fe81  1  0.362542  0.025111  0.433479  1
  Fe  Fe82  1  0.529178  0.858695  0.433475  1
  Fe  Fe83  1  0.862588  0.524931  0.433550  1
  Fe  Fe84  1  0.889533  0.878719  0.418092  1
  Fe  Fe85  1  0.243945  0.917080  0.399507  1
  Fe  Fe86  1  0.577241  0.583725  0.399527  1
  Fe  Fe87  1  0.910285  0.250022  0.399410  1
  Fe  Fe88  1  0.196014  0.191665  0.433454  1
  Fe  Fe89  1  0.222697  0.545620  0.418040  1
  Fe  Fe90  1  0.556134  0.212610  0.418025  1
  Fe  Fe91  1  0.347706  0.847624  0.441960  1
  Fe  Fe92  1  0.680957  0.514334  0.442031  1
  Fe  Fe93  1  0.709855  0.867824  0.426063  1
  Fe  Fe94  1  0.060304  0.901159  0.406956  1
  Fe  Fe95  1  0.393582  0.567960  0.406950  1
  Fe  Fe96  1  0.727050  0.234296  0.406843  1
  Fe  Fe97  1  0.014425  0.180811  0.441956  1
  Fe  Fe98  1  0.043178  0.534218  0.426143  1
  Fe  Fe99  1  0.376899  0.200702  0.425892  1
  Fe  Fe100  1  0.514332  0.681047  0.441965  1
  Fe  Fe101  1  0.847855  0.347334  0.441979  1
  Fe  Fe102  1  0.876601  0.700818  0.426162  1
  Fe  Fe103  1  0.226932  0.734556  0.406942  1
  Fe  Fe104  1  0.560190  0.401307  0.406996  1
  Fe  Fe105  1  0.894175  0.067581  0.407079  1
  Fe  Fe106  1  0.181078  0.014218  0.441966  1
  Fe  Fe107  1  0.209781  0.367677  0.426106  1
  Fe  Fe108  1  0.542996  0.034822  0.425933  1
  Fe  Fe109  1  0.259613  0.589210  0.502385  1
  Fe  Fe110  1  0.668165  0.334349  0.450157  1
  Fe  Fe111  1  0.617485  0.615169  0.484764  1
  Fe  Fe112  1  0.978318  0.639358  0.468587  1
  Fe  Fe113  1  0.311711  0.305976  0.468478  1
  Fe  Fe114  1  0.644806  0.973008  0.468475  1
  Fe  Fe115  1  1.001565  1.000909  0.450227  1
  Fe  Fe116  1  0.950966  0.281600  0.484781  1
  Fe  Fe117  1  0.284241  0.948373  0.484746  1
  Fe  Fe118  1  0.450870  0.781810  0.484732  1
  Fe  Fe119  1  0.784265  0.448316  0.484771  1
  Fe  Fe120  1  0.811585  0.806163  0.468549  1
  Fe  Fe121  1  0.168104  0.834353  0.450175  1
  Fe  Fe122  1  0.501325  0.501173  0.450184  1
  Fe  Fe123  1  0.834740  0.167715  0.450191  1
  Fe  Fe124  1  0.117593  0.114987  0.484761  1
  Fe  Fe125  1  0.144951  0.472718  0.468565  1
  Fe  Fe126  1  0.478211  0.139599  0.468494  1
  Fe  Fe127  1  0.271619  0.768986  0.493267  1
  Fe  Fe128  1  0.604881  0.435790  0.493283  1
  Fe  Fe129  1  0.631027  0.793891  0.476467  1
  Fe  Fe130  1  0.991268  0.819665  0.459955  1
  Fe  Fe131  1  0.324493  0.486412  0.459907  1
  Fe  Fe132  1  0.657852  0.153173  0.459895  1
  Fe  Fe133  1  0.938272  0.102363  0.493305  1
  Fe  Fe134  1  0.964448  0.460276  0.476521  1
  Fe  Fe135  1  0.297735  0.127092  0.476464  1
  Fe  Fe136  1  0.438129  0.602507  0.493267  1
  Fe  Fe137  1  0.771583  0.269088  0.493305  1
  Fe  Fe138  1  0.797732  0.627060  0.476515  1
  Fe  Fe139  1  0.157891  0.653037  0.459933  1
  Fe  Fe140  1  0.491175  0.319862  0.459909  1
  Fe  Fe141  1  0.824528  0.986445  0.459924  1
  Fe  Fe142  1  0.104990  0.935637  0.493309  1
  Fe  Fe143  1  0.131143  0.293629  0.476491  1
  Fe  Fe144  1  0.464359  0.960566  0.476457  1
  Fe  Fe145  1  0.182404  0.511939  0.553663  1
  Fe  Fe146  1  0.592932  0.256053  0.502377  1
  Fe  Fe147  1  0.540705  0.538008  0.536167  1
  Fe  Fe148  1  0.900258  0.563071  0.519240  1
  Fe  Fe149  1  0.233557  0.229780  0.519221  1
  Fe  Fe150  1  0.566883  0.896617  0.519161  1
  Fe  Fe151  1  0.926337  0.922585  0.502402  1
  Fe  Fe152  1  0.874325  0.204460  0.536240  1
  Fe  Fe153  1  0.207829  0.870841  0.536179  1
  Fe  Fe154  1  0.374262  0.704453  0.536208  1
  Fe  Fe155  1  0.707560  0.371226  0.536225  1
  Fe  Fe156  1  0.733555  0.729886  0.519198  1
  Fe  Fe157  1  0.093034  0.755826  0.502402  1
  Fe  Fe158  1  0.426225  0.422689  0.502376  1
  Fe  Fe159  1  0.759621  0.089360  0.502385  1
  Fe  Fe160  1  0.041048  0.037691  0.536230  1
  Fe  Fe161  1  0.066925  0.396360  0.519240  1
  Fe  Fe162  1  0.400207  0.063238  0.519186  1
  Fe  Fe163  1  0.195251  0.691505  0.545085  1
  Fe  Fe164  1  0.528376  0.358543  0.545068  1
  Fe  Fe165  1  0.553598  0.717251  0.527493  1
  Fe  Fe166  1  0.913569  0.742687  0.511036  1
  Fe  Fe167  1  0.246884  0.409289  0.511012  1
  Fe  Fe168  1  0.580166  0.076211  0.510987  1
  Fe  Fe169  1  0.861951  0.025061  0.545082  1
  Fe  Fe170  1  0.887017  0.383737  0.527557  1
  Fe  Fe171  1  0.220391  0.050379  0.527524  1
  Fe  Fe172  1  0.361721  0.525066  0.545077  1
  Fe  Fe173  1  0.695185  0.191854  0.545078  1
  Fe  Fe174  1  0.720298  0.550501  0.527523  1
  Fe  Fe175  1  0.080228  0.575941  0.511048  1
  Fe  Fe176  1  0.413483  0.242819  0.511007  1
  Fe  Fe177  1  0.746843  0.909507  0.510992  1
  Fe  Fe178  1  0.028671  0.858196  0.545082  1
  Fe  Fe179  1  0.053721  0.217021  0.527556  1
  Fe  Fe180  1  0.387060  0.883775  0.527489  1
  Fe  Fe181  1  0.105027  0.434777  0.604674  1
  Fe  Fe182  1  0.515774  0.178920  0.553624  1
  Fe  Fe183  1  0.463861  0.460953  0.587891  1
  Fe  Fe184  1  0.822813  0.486128  0.570193  1
  Fe  Fe185  1  0.156241  0.152678  0.570197  1
  Fe  Fe186  1  0.489510  0.819473  0.570104  1
  Fe  Fe187  1  0.849193  0.845471  0.553629  1
  Fe  Fe188  1  0.797693  0.127581  0.587887  1
  Fe  Fe189  1  0.131089  0.793690  0.587895  1
  Fe  Fe190  1  0.297496  0.627325  0.587908  1
  Fe  Fe191  1  0.630722  0.294395  0.587877  1
  Fe  Fe192  1  0.656032  0.653003  0.570106  1
  Fe  Fe193  1  0.015850  0.678604  0.553665  1
  Fe  Fe194  1  0.348999  0.345486  0.553655  1
  Fe  Fe195  1  0.682522  0.012263  0.553604  1
  Fe  Fe196  1  0.964499  0.960584  0.587880  1
  Fe  Fe197  1  0.989492  0.319337  0.570216  1
  Fe  Fe198  1  0.323062  0.985954  0.570111  1
  Fe  Fe199  1  0.118208  0.614279  0.596426  1
  Fe  Fe200  1  0.451427  0.281465  0.596391  1
  Fe  Fe201  1  0.476617  0.640202  0.579091  1
  Fe  Fe202  1  0.836065  0.665775  0.561867  1
  Fe  Fe203  1  0.169278  0.332372  0.561923  1
  Fe  Fe204  1  0.502804  0.999180  0.561802  1
  Fe  Fe205  1  0.785021  0.948236  0.596354  1
  Fe  Fe206  1  0.810038  0.306866  0.579097  1
  Fe  Fe207  1  0.143982  0.972729  0.578969  1
  Fe  Fe208  1  0.284543  0.447959  0.596428  1
  Fe  Fe209  1  0.618407  0.114862  0.596354  1
  Fe  Fe210  1  0.642801  0.473950  0.578963  1
  Fe  Fe211  1  0.002717  0.498934  0.561925  1
  Fe  Fe212  1  0.336030  0.165815  0.561867  1
  Fe  Fe213  1  0.669361  0.832620  0.561802  1
  Fe  Fe214  1  0.951655  0.781212  0.596391  1
  Fe  Fe215  1  0.976922  0.139963  0.579100  1
  Fe  Fe216  1  0.310241  0.806561  0.579096  1
  Fe  Fe217  1  0.027121  0.356950  0.655564  1
  Fe  Fe218  1  0.438968  0.101756  0.604439  1
  Fe  Fe219  1  0.386412  0.383525  0.639264  1
  Fe  Fe220  1  0.744318  0.410493  0.621654  1
  Fe  Fe221  1  0.080608  0.074180  0.621658  1
  Fe  Fe222  1  0.412619  0.742498  0.622078  1
  Fe  Fe223  1  0.771923  0.768798  0.604434  1
  Fe  Fe224  1  0.720715  0.050571  0.639231  1
  Fe  Fe225  1  0.053700  0.716220  0.639259  1
  Fe  Fe226  1  0.220022  0.549827  0.639309  1
  Fe  Fe227  1  0.553888  0.216915  0.639219  1
  Fe  Fe228  1  0.578874  0.576258  0.622048  1
  Fe  Fe229  1  0.938673  0.601614  0.604566  1
  Fe  Fe230  1  0.271834  0.268456  0.604571  1
  Fe  Fe231  1  0.605468  0.935321  0.604424  1
  Fe  Fe232  1  0.887063  0.883725  0.639216  1
  Fe  Fe233  1  0.912541  0.242411  0.621966  1
  Fe  Fe234  1  0.246366  0.908743  0.622052  1
  Fe  Fe235  1  0.040837  0.536438  0.647558  1
  Fe  Fe236  1  0.374866  0.203929  0.647346  1
  Fe  Fe237  1  0.399637  0.563178  0.630779  1
  Fe  Fe238  1  0.758254  0.588892  0.612481  1
  Fe  Fe239  1  0.091678  0.255196  0.612723  1
  Fe  Fe240  1  0.425380  0.921617  0.612459  1
  Fe  Fe241  1  0.707744  0.871339  0.647321  1
  Fe  Fe242  1  0.733273  0.230104  0.630779  1
  Fe  Fe243  1  0.066947  0.895826  0.630756  1
  Fe  Fe244  1  0.206632  0.370646  0.647562  1
  Fe  Fe245  1  0.541489  0.037596  0.647324  1
  Fe  Fe246  1  0.565983  0.396816  0.630756  1
  Fe  Fe247  1  0.925373  0.421510  0.612719  1
  Fe  Fe248  1  0.259027  0.088105  0.612488  1
  Fe  Fe249  1  0.591738  0.755265  0.612456  1
  Fe  Fe250  1  0.874096  0.704696  0.647339  1
  Fe  Fe251  1  0.900229  0.063135  0.630780  1
  Fe  Fe252  1  0.233331  0.729471  0.630779  1
  Fe  Fe253  1  0.942920  0.272773  0.705578  1
  Fe  Fe254  1  0.363006  0.025321  0.654184  1
  Fe  Fe255  1  0.307087  0.301738  0.690235  1
  Fe  Fe256  1  0.668378  0.332643  0.673399  1
  Fe  Fe257  1  0.002779  0.998223  0.673399  1
  Fe  Fe258  1  0.335420  0.665264  0.673372  1
  Fe  Fe259  1  0.695472  0.692863  0.654178  1
  Fe  Fe260  1  0.639415  0.969259  0.690227  1
  Fe  Fe261  1  0.971901  0.636919  0.690228  1
  Fe  Fe262  1  0.138729  0.468559  0.690488  1
  Fe  Fe263  1  0.473270  0.135386  0.690225  1
  Fe  Fe264  1  0.501724  0.498985  0.673350  1
  Fe  Fe265  1  0.861912  0.526455  0.654337  1
  Fe  Fe266  1  0.196612  0.191745  0.654344  1
  Fe  Fe267  1  0.529236  0.859094  0.654173  1
  Fe  Fe268  1  0.805543  0.803107  0.690219  1
  Fe  Fe269  1  0.837327  0.167186  0.673700  1
  Fe  Fe270  1  0.169128  0.831562  0.673349  1
  Fe  Fe271  1  0.954404  0.455899  0.697998  1
  Fe  Fe272  1  0.290488  0.118137  0.697449  1
  Fe  Fe273  1  0.320644  0.484094  0.682008  1
  Fe  Fe274  1  0.682572  0.514264  0.665063  1
  Fe  Fe275  1  0.019768  0.176024  0.663884  1
  Fe  Fe276  1  0.350414  0.846429  0.665103  1
  Fe  Fe277  1  0.622469  0.786287  0.697387  1
  Fe  Fe278  1  0.655302  0.151142  0.681921  1
  Fe  Fe279  1  0.987711  0.817770  0.681914  1
  Fe  Fe280  1  0.126056  0.284243  0.698002  1
  Fe  Fe281  1  0.456447  0.952309  0.697390  1
  Fe  Fe282  1  0.487939  0.317559  0.681919  1
  Fe  Fe283  1  0.846176  0.349628  0.663882  1
  Fe  Fe284  1  0.184398  0.012419  0.665069  1
  Fe  Fe285  1  0.516576  0.680276  0.665101  1
  Fe  Fe286  1  0.788298  0.620326  0.697442  1
  Fe  Fe287  1  0.821289  0.985148  0.681919  1
  Fe  Fe288  1  0.154257  0.650471  0.682006  1
