# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.20652613
_cell_length_b   9.19445963
_cell_length_c   46.23406696
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe144
_cell_volume   3894.0515412
_cell_formula_units_Z   144
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  0.926980  0.265745  0.315109  1
  Fe  Fe2  1  0.266080  0.926660  0.315117  1
  Fe  Fe3  1  0.362599  0.362159  0.296496  1
  Fe  Fe4  1  0.643650  0.643430  0.337683  1
  Fe  Fe5  1  0.706169  0.011199  0.298083  1
  Fe  Fe6  1  0.643422  0.296370  0.306889  1
  Fe  Fe7  1  0.011705  0.705957  0.298067  1
  Fe  Fe8  1  0.985818  0.985571  0.304594  1
  Fe  Fe9  1  0.296690  0.642932  0.306895  1
  Fe  Fe10  1  0.788564  0.106993  0.343578  1
  Fe  Fe11  1  0.107289  0.788341  0.343574  1
  Fe  Fe12  1  0.175426  0.175195  0.300345  1
  Fe  Fe13  1  0.548318  0.548011  0.292799  1
  Fe  Fe14  1  0.514932  0.815478  0.302841  1
  Fe  Fe15  1  0.455066  0.107788  0.311274  1
  Fe  Fe16  1  0.815836  0.514818  0.302827  1
  Fe  Fe17  1  0.834603  0.834493  0.332857  1
  Fe  Fe18  1  0.108047  0.454689  0.311277  1
  Fe  Fe19  1  0.879072  0.200214  0.388575  1
  Fe  Fe20  1  0.200504  0.878866  0.388567  1
  Fe  Fe21  1  0.270188  0.270018  0.344664  1
  Fe  Fe22  1  0.549124  0.548908  0.386335  1
  Fe  Fe23  1  0.591560  0.925474  0.347678  1
  Fe  Fe24  1  0.543802  0.209684  0.356276  1
  Fe  Fe25  1  0.925796  0.591328  0.347671  1
  Fe  Fe26  1  0.927099  0.926985  0.378137  1
  Fe  Fe27  1  0.210001  0.543405  0.356278  1
  Fe  Fe28  1  0.683000  0.015535  0.392738  1
  Fe  Fe29  1  0.015876  0.682757  0.392729  1
  Fe  Fe30  1  0.077324  0.077107  0.349896  1
  Fe  Fe31  1  0.459567  0.459335  0.340506  1
  Fe  Fe32  1  0.394969  0.738766  0.351729  1
  Fe  Fe33  1  0.350807  0.024890  0.360721  1
  Fe  Fe34  1  0.739126  0.394687  0.351728  1
  Fe  Fe35  1  0.736675  0.736471  0.382552  1
  Fe  Fe36  1  0.025223  0.350392  0.360724  1
  Fe  Fe37  1  0.774419  0.106805  0.437617  1
  Fe  Fe38  1  0.107153  0.774169  0.437608  1
  Fe  Fe39  1  0.169319  0.169072  0.395822  1
  Fe  Fe40  1  0.452596  0.452437  0.435005  1
  Fe  Fe41  1  0.486928  0.829695  0.397414  1
  Fe  Fe42  1  0.443272  0.116786  0.406619  1
  Fe  Fe43  1  0.830074  0.486662  0.397408  1
  Fe  Fe44  1  0.827984  0.827767  0.427817  1
  Fe  Fe45  1  0.117132  0.442861  0.406621  1
  Fe  Fe46  1  0.578251  0.924621  0.442667  1
  Fe  Fe47  1  0.924922  0.577997  0.442666  1
  Fe  Fe48  1  0.018570  0.018455  0.423424  1
  Fe  Fe49  1  0.360235  0.360041  0.390288  1
  Fe  Fe50  1  0.301129  0.634928  0.402002  1
  Fe  Fe51  1  0.291357  0.969495  0.433946  1
  Fe  Fe52  1  0.635307  0.300807  0.402000  1
  Fe  Fe53  1  0.641449  0.641249  0.431654  1
  Fe  Fe54  1  0.969740  0.291043  0.433953  1
  Fe  Fe55  1  0.671578  0.018406  0.487760  1
  Fe  Fe56  1  0.018573  0.671381  0.487762  1
  Fe  Fe57  1  0.106319  0.106107  0.469146  1
  Fe  Fe58  1  0.364540  0.364534  0.489702  1
  Fe  Fe59  1  0.393895  0.725826  0.447639  1
  Fe  Fe60  1  0.376270  0.064295  0.479226  1
  Fe  Fe61  1  0.726254  0.393577  0.447627  1
  Fe  Fe62  1  0.734967  0.734856  0.476491  1
  Fe  Fe63  1  0.064440  0.375961  0.479238  1
  Fe  Fe64  1  0.489974  0.823986  0.492198  1
  Fe  Fe65  1  0.824291  0.489724  0.492194  1
  Fe  Fe66  1  0.920770  0.920598  0.472916  1
  Fe  Fe67  1  0.261000  0.260768  0.442198  1
  Fe  Fe68  1  0.212057  0.535721  0.453321  1
  Fe  Fe69  1  0.203383  0.857174  0.483363  1
  Fe  Fe70  1  0.536116  0.211758  0.453315  1
  Fe  Fe71  1  0.543169  0.542871  0.480949  1
  Fe  Fe72  1  0.857497  0.203080  0.483364  1
  Fe  Fe73  1  0.583227  0.915556  0.537387  1
  Fe  Fe74  1  0.915745  0.583064  0.537386  1
  Fe  Fe75  1  0.016301  0.016211  0.517510  1
  Fe  Fe76  1  0.298129  0.298135  0.557760  1
  Fe  Fe77  1  0.347889  0.646095  0.515767  1
  Fe  Fe78  1  0.297075  0.948451  0.528564  1
  Fe  Fe79  1  0.646456  0.347733  0.515761  1
  Fe  Fe80  1  0.638100  0.637966  0.526154  1
  Fe  Fe81  1  0.948695  0.296829  0.528570  1
  Fe  Fe82  1  0.436232  0.756657  0.563414  1
  Fe  Fe83  1  0.756807  0.436158  0.563411  1
  Fe  Fe84  1  0.827451  0.827438  0.521375  1
  Fe  Fe85  1  0.198413  0.198237  0.514140  1
  Fe  Fe86  1  0.157193  0.478697  0.523106  1
  Fe  Fe87  1  0.105505  0.767077  0.533350  1
  Fe  Fe88  1  0.478842  0.157176  0.523097  1
  Fe  Fe89  1  0.483721  0.483784  0.552186  1
  Fe  Fe90  1  0.767226  0.105359  0.533349  1
  Fe  Fe91  1  0.529902  0.843642  0.609217  1
  Fe  Fe92  1  0.843756  0.529930  0.609209  1
  Fe  Fe93  1  0.920426  0.920449  0.565772  1
  Fe  Fe94  1  0.202642  0.202677  0.607476  1
  Fe  Fe95  1  0.243304  0.577321  0.568186  1
  Fe  Fe96  1  0.193931  0.860693  0.578676  1
  Fe  Fe97  1  0.577405  0.243239  0.568187  1
  Fe  Fe98  1  0.574364  0.574362  0.599079  1
  Fe  Fe99  1  0.860887  0.193704  0.578682  1
  Fe  Fe100  1  0.328739  0.669146  0.614029  1
  Fe  Fe101  1  0.669301  0.328605  0.614028  1
  Fe  Fe102  1  0.727288  0.727230  0.571831  1
  Fe  Fe103  1  0.108436  0.108374  0.562911  1
  Fe  Fe104  1  0.047910  0.392551  0.572988  1
  Fe  Fe105  1  0.004972  0.678928  0.584119  1
  Fe  Fe106  1  0.392618  0.047832  0.572987  1
  Fe  Fe107  1  0.388753  0.388787  0.603362  1
  Fe  Fe108  1  0.679056  0.004779  0.584127  1
  Fe  Fe109  1  0.421317  0.761550  0.659495  1
  Fe  Fe110  1  0.761669  0.421253  0.659491  1
  Fe  Fe111  1  0.820282  0.820404  0.617225  1
  Fe  Fe112  1  0.096010  0.095959  0.658249  1
  Fe  Fe113  1  0.140737  0.487361  0.618160  1
  Fe  Fe114  1  0.141387  0.804333  0.647793  1
  Fe  Fe115  1  0.487249  0.140690  0.618167  1
  Fe  Fe116  1  0.482795  0.482834  0.648586  1
  Fe  Fe117  1  0.804372  0.141423  0.647795  1
  Fe  Fe118  1  0.235435  0.563743  0.664962  1
  Fe  Fe119  1  0.563907  0.235339  0.664955  1
  Fe  Fe120  1  0.667942  0.667988  0.644987  1
  Fe  Fe121  1  0.005710  0.005560  0.612688  1
  Fe  Fe122  1  0.959312  0.292649  0.622092  1
  Fe  Fe123  1  0.945560  0.626156  0.653767  1
  Fe  Fe124  1  0.292752  0.959161  0.622094  1
  Fe  Fe125  1  0.293136  0.293219  0.652804  1
  Fe  Fe126  1  0.626101  0.945533  0.653774  1
  Fe  Fe127  1  0.326428  0.657373  0.709599  1
  Fe  Fe128  1  0.657470  0.326341  0.709594  1
  Fe  Fe129  1  0.756834  0.756898  0.691037  1
  Fe  Fe130  1  0.990455  0.990324  0.709261  1
  Fe  Fe131  1  0.048919  0.383320  0.666638  1
  Fe  Fe132  1  0.044801  0.714759  0.698979  1
  Fe  Fe133  1  0.383403  0.048826  0.666637  1
  Fe  Fe134  1  0.384167  0.384200  0.698432  1
  Fe  Fe135  1  0.714795  0.044803  0.698978  1
  Fe  Fe136  1  0.132415  0.463609  0.713076  1
  Fe  Fe137  1  0.463752  0.132299  0.713069  1
  Fe  Fe138  1  0.575687  0.575735  0.693886  1
  Fe  Fe139  1  0.905780  0.905649  0.663583  1
  Fe  Fe140  1  0.900359  0.232077  0.693552  1
  Fe  Fe141  1  0.861579  0.511400  0.704084  1
  Fe  Fe142  1  0.232029  0.900387  0.693547  1
  Fe  Fe143  1  0.190682  0.190690  0.702953  1
  Fe  Fe144  1  0.511457  0.861580  0.704078  1
