# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91488416
_cell_length_b   13.50760186
_cell_length_c   46.06290894
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.46104934
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe192
_cell_volume   5229.93516955
_cell_formula_units_Z   192
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  0.690620  0.534735  0.290506  1
  Fe  Fe2  1  0.190620  0.534735  0.290506  1
  Fe  Fe3  1  0.113218  0.875350  0.282393  1
  Fe  Fe4  1  0.266748  0.193047  0.298747  1
  Fe  Fe5  1  0.613218  0.875350  0.282393  1
  Fe  Fe6  1  0.766748  0.193047  0.298747  1
  Fe  Fe7  1  0.938838  0.693439  0.298780  1
  Fe  Fe8  1  0.438838  0.693439  0.298780  1
  Fe  Fe9  1  0.356819  0.035049  0.290469  1
  Fe  Fe10  1  0.772430  0.374439  0.282585  1
  Fe  Fe11  1  0.856819  0.035049  0.290469  1
  Fe  Fe12  1  0.272430  0.374439  0.282585  1
  Fe  Fe13  1  0.430653  0.513955  0.317175  1
  Fe  Fe14  1  0.930653  0.513955  0.317175  1
  Fe  Fe15  1  0.850443  0.852659  0.307450  1
  Fe  Fe16  1  0.008940  0.174512  0.326013  1
  Fe  Fe17  1  0.350443  0.852659  0.307450  1
  Fe  Fe18  1  0.508940  0.174512  0.326013  1
  Fe  Fe19  1  0.677923  0.674183  0.326072  1
  Fe  Fe20  1  0.177923  0.674183  0.326072  1
  Fe  Fe21  1  0.095257  0.013852  0.317205  1
  Fe  Fe22  1  0.513223  0.352792  0.307631  1
  Fe  Fe23  1  0.595257  0.013852  0.317205  1
  Fe  Fe24  1  0.013223  0.352792  0.307631  1
  Fe  Fe25  1  0.168836  0.492004  0.344570  1
  Fe  Fe26  1  0.668836  0.492004  0.344570  1
  Fe  Fe27  1  0.588355  0.832490  0.335904  1
  Fe  Fe28  1  0.748433  0.152212  0.353922  1
  Fe  Fe29  1  0.088355  0.832490  0.335904  1
  Fe  Fe30  1  0.248433  0.152212  0.353922  1
  Fe  Fe31  1  0.416185  0.652199  0.353947  1
  Fe  Fe32  1  0.916185  0.652199  0.353947  1
  Fe  Fe33  1  0.835444  0.992125  0.344529  1
  Fe  Fe34  1  0.256127  0.332489  0.336052  1
  Fe  Fe35  1  0.335444  0.992125  0.344529  1
  Fe  Fe36  1  0.756127  0.332489  0.336052  1
  Fe  Fe37  1  0.908407  0.471908  0.372645  1
  Fe  Fe38  1  0.408407  0.471908  0.372645  1
  Fe  Fe39  1  0.328239  0.812197  0.363249  1
  Fe  Fe40  1  0.487389  0.131290  0.381728  1
  Fe  Fe41  1  0.828239  0.812197  0.363249  1
  Fe  Fe42  1  0.987389  0.131290  0.381728  1
  Fe  Fe43  1  0.156376  0.631352  0.381770  1
  Fe  Fe44  1  0.656376  0.631352  0.381770  1
  Fe  Fe45  1  0.575801  0.971879  0.372601  1
  Fe  Fe46  1  0.996036  0.312156  0.363335  1
  Fe  Fe47  1  0.075801  0.971879  0.372601  1
  Fe  Fe48  1  0.496036  0.312156  0.363335  1
  Fe  Fe49  1  0.647452  0.450660  0.400558  1
  Fe  Fe50  1  0.147452  0.450660  0.400558  1
  Fe  Fe51  1  0.067356  0.790823  0.391311  1
  Fe  Fe52  1  0.226998  0.110198  0.409833  1
  Fe  Fe53  1  0.567356  0.790823  0.391311  1
  Fe  Fe54  1  0.726998  0.110198  0.409833  1
  Fe  Fe55  1  0.895635  0.610273  0.409863  1
  Fe  Fe56  1  0.395635  0.610273  0.409863  1
  Fe  Fe57  1  0.315551  0.950667  0.400529  1
  Fe  Fe58  1  0.735707  0.290818  0.391371  1
  Fe  Fe59  1  0.815551  0.950667  0.400529  1
  Fe  Fe60  1  0.235707  0.290818  0.391371  1
  Fe  Fe61  1  0.386853  0.429528  0.428509  1
  Fe  Fe62  1  0.886853  0.429528  0.428509  1
  Fe  Fe63  1  0.806814  0.769846  0.419135  1
  Fe  Fe64  1  0.966489  0.089169  0.437765  1
  Fe  Fe65  1  0.306814  0.769846  0.419135  1
  Fe  Fe66  1  0.466489  0.089169  0.437765  1
  Fe  Fe67  1  0.635104  0.589222  0.437794  1
  Fe  Fe68  1  0.135104  0.589222  0.437794  1
  Fe  Fe69  1  0.055049  0.929536  0.428491  1
  Fe  Fe70  1  0.475320  0.269826  0.419165  1
  Fe  Fe71  1  0.555049  0.929536  0.428491  1
  Fe  Fe72  1  0.975320  0.269826  0.419165  1
  Fe  Fe73  1  0.126206  0.408416  0.456435  1
  Fe  Fe74  1  0.626206  0.408416  0.456435  1
  Fe  Fe75  1  0.546346  0.748775  0.447133  1
  Fe  Fe76  1  0.705980  0.068052  0.465743  1
  Fe  Fe77  1  0.046346  0.748775  0.447133  1
  Fe  Fe78  1  0.205980  0.068052  0.465743  1
  Fe  Fe79  1  0.374491  0.568089  0.465765  1
  Fe  Fe80  1  0.874491  0.568089  0.465765  1
  Fe  Fe81  1  0.794619  0.908451  0.456430  1
  Fe  Fe82  1  0.214782  0.248763  0.447153  1
  Fe  Fe83  1  0.294619  0.908451  0.456430  1
  Fe  Fe84  1  0.714782  0.248763  0.447153  1
  Fe  Fe85  1  0.865677  0.387333  0.484387  1
  Fe  Fe86  1  0.365677  0.387333  0.484387  1
  Fe  Fe87  1  0.285830  0.727715  0.475058  1
  Fe  Fe88  1  0.445472  0.046994  0.493682  1
  Fe  Fe89  1  0.785830  0.727715  0.475058  1
  Fe  Fe90  1  0.945472  0.046994  0.493682  1
  Fe  Fe91  1  0.113955  0.547010  0.493699  1
  Fe  Fe92  1  0.613955  0.547010  0.493699  1
  Fe  Fe93  1  0.534091  0.887372  0.484388  1
  Fe  Fe94  1  0.954277  0.227713  0.475073  1
  Fe  Fe95  1  0.034091  0.887372  0.484388  1
  Fe  Fe96  1  0.454277  0.227713  0.475073  1
  Fe  Fe97  1  0.605145  0.366251  0.512330  1
  Fe  Fe98  1  0.105145  0.366251  0.512330  1
  Fe  Fe99  1  0.025281  0.706613  0.503019  1
  Fe  Fe100  1  0.184959  0.025910  0.521645  1
  Fe  Fe101  1  0.525281  0.706613  0.503019  1
  Fe  Fe102  1  0.684959  0.025910  0.521645  1
  Fe  Fe103  1  0.853407  0.525908  0.521660  1
  Fe  Fe104  1  0.353407  0.525908  0.521660  1
  Fe  Fe105  1  0.273560  0.866290  0.512331  1
  Fe  Fe106  1  0.693764  0.206629  0.503036  1
  Fe  Fe107  1  0.773560  0.866290  0.512331  1
  Fe  Fe108  1  0.193764  0.206629  0.503036  1
  Fe  Fe109  1  0.344617  0.345172  0.540288  1
  Fe  Fe110  1  0.844617  0.345172  0.540288  1
  Fe  Fe111  1  0.764745  0.685534  0.530953  1
  Fe  Fe112  1  0.924454  0.004860  0.549565  1
  Fe  Fe113  1  0.264745  0.685534  0.530953  1
  Fe  Fe114  1  0.424454  0.004860  0.549565  1
  Fe  Fe115  1  0.592891  0.504848  0.549585  1
  Fe  Fe116  1  0.092891  0.504848  0.549585  1
  Fe  Fe117  1  0.013030  0.845207  0.540283  1
  Fe  Fe118  1  0.433256  0.185571  0.530975  1
  Fe  Fe119  1  0.513030  0.845207  0.540283  1
  Fe  Fe120  1  0.933256  0.185571  0.530975  1
  Fe  Fe121  1  0.084188  0.324087  0.568227  1
  Fe  Fe122  1  0.584188  0.324087  0.568227  1
  Fe  Fe123  1  0.504132  0.664401  0.558924  1
  Fe  Fe124  1  0.663916  0.983797  0.577553  1
  Fe  Fe125  1  1.004132  0.664401  0.558924  1
  Fe  Fe126  1  0.163916  0.983797  0.577553  1
  Fe  Fe127  1  0.332422  0.483777  0.577583  1
  Fe  Fe128  1  0.832422  0.483777  0.577583  1
  Fe  Fe129  1  0.752383  0.824095  0.568209  1
  Fe  Fe130  1  0.172748  0.164453  0.558953  1
  Fe  Fe131  1  0.252383  0.824095  0.568209  1
  Fe  Fe132  1  0.672748  0.164453  0.558953  1
  Fe  Fe133  1  0.823685  0.302956  0.596189  1
  Fe  Fe134  1  0.323685  0.302956  0.596189  1
  Fe  Fe135  1  0.243602  0.643350  0.586854  1
  Fe  Fe136  1  0.403529  0.962805  0.605346  1
  Fe  Fe137  1  0.743602  0.643350  0.586854  1
  Fe  Fe138  1  0.903529  0.962805  0.605346  1
  Fe  Fe139  1  0.071880  0.462800  0.605407  1
  Fe  Fe140  1  0.571880  0.462800  0.605407  1
  Fe  Fe141  1  0.491784  0.802963  0.596160  1
  Fe  Fe142  1  0.912238  0.143425  0.586885  1
  Fe  Fe143  1  0.991784  0.802963  0.596160  1
  Fe  Fe144  1  0.412238  0.143425  0.586885  1
  Fe  Fe145  1  0.563436  0.281744  0.624117  1
  Fe  Fe146  1  0.063436  0.281744  0.624117  1
  Fe  Fe147  1  0.982861  0.622271  0.614948  1
  Fe  Fe148  1  0.143200  0.941467  0.633383  1
  Fe  Fe149  1  0.482861  0.622271  0.614948  1
  Fe  Fe150  1  0.643200  0.941467  0.633383  1
  Fe  Fe151  1  0.810997  0.441426  0.633469  1
  Fe  Fe152  1  0.310997  0.441426  0.633469  1
  Fe  Fe153  1  0.230829  0.781715  0.624073  1
  Fe  Fe154  1  0.651847  0.122333  0.614990  1
  Fe  Fe155  1  0.730829  0.781715  0.624073  1
  Fe  Fe156  1  0.151847  0.122333  0.614990  1
  Fe  Fe157  1  0.303793  0.261498  0.652189  1
  Fe  Fe158  1  0.803793  0.261498  0.652189  1
  Fe  Fe159  1  0.723051  0.601424  0.642771  1
  Fe  Fe160  1  0.883109  0.921134  0.660666  1
  Fe  Fe161  1  0.223051  0.601424  0.642771  1
  Fe  Fe162  1  0.383109  0.921134  0.660666  1
  Fe  Fe163  1  0.550881  0.421133  0.660814  1
  Fe  Fe164  1  0.050881  0.421133  0.660814  1
  Fe  Fe165  1  0.970400  0.761619  0.652148  1
  Fe  Fe166  1  0.390803  0.101411  0.642796  1
  Fe  Fe167  1  0.470400  0.761619  0.652148  1
  Fe  Fe168  1  0.890803  0.101411  0.642796  1
  Fe  Fe169  1  0.043980  0.239771  0.679512  1
  Fe  Fe170  1  0.543980  0.239771  0.679512  1
  Fe  Fe171  1  0.461314  0.579440  0.670646  1
  Fe  Fe172  1  0.626013  0.900831  0.689087  1
  Fe  Fe173  1  0.961314  0.579440  0.670646  1
  Fe  Fe174  1  0.126013  0.900831  0.689087  1
  Fe  Fe175  1  0.288794  0.400964  0.689268  1
  Fe  Fe176  1  0.788794  0.400964  0.689268  1
  Fe  Fe177  1  0.708584  0.739668  0.679543  1
  Fe  Fe178  1  0.130297  0.079111  0.670705  1
  Fe  Fe179  1  0.208584  0.739668  0.679543  1
  Fe  Fe180  1  0.630297  0.079111  0.670705  1
  Fe  Fe181  1  0.782417  0.218574  0.706249  1
  Fe  Fe182  1  0.282417  0.218574  0.706249  1
  Fe  Fe183  1  0.200399  0.560184  0.697938  1
  Fe  Fe184  1  0.366806  0.879184  0.714133  1
  Fe  Fe185  1  0.700399  0.560184  0.697938  1
  Fe  Fe186  1  0.866806  0.879184  0.714133  1
  Fe  Fe187  1  0.026019  0.378273  0.714325  1
  Fe  Fe188  1  0.526019  0.378273  0.714325  1
  Fe  Fe189  1  0.448617  0.718888  0.706212  1
  Fe  Fe190  1  0.872488  0.060576  0.697971  1
  Fe  Fe191  1  0.948617  0.718888  0.706212  1
  Fe  Fe192  1  0.372488  0.060576  0.697971  1
