# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99243682
_cell_length_b   8.98825441
_cell_length_c   46.66048389
_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   3752.49037908
_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  0.973003  0.308157  0.319720  1
  Fe  Fe2  1  0.307533  0.973623  0.319721  1
  Fe  Fe3  1  0.379739  0.380392  0.283762  1
  Fe  Fe4  1  0.642985  0.643622  0.322214  1
  Fe  Fe5  1  0.714868  0.047062  0.284563  1
  Fe  Fe6  1  0.676478  0.338117  0.301654  1
  Fe  Fe7  1  0.046403  0.715516  0.284563  1
  Fe  Fe8  1  0.007330  0.007995  0.301614  1
  Fe  Fe9  1  0.337475  0.677138  0.301653  1
  Fe  Fe10  1  0.794630  0.126936  0.331026  1
  Fe  Fe11  1  0.126311  0.795258  0.331025  1
  Fe  Fe12  1  0.194262  0.194901  0.292905  1
  Fe  Fe13  1  0.565439  0.566110  0.275798  1
  Fe  Fe14  1  0.530906  0.856404  0.292741  1
  Fe  Fe15  1  0.489729  0.156649  0.310816  1
  Fe  Fe16  1  0.855731  0.531555  0.292741  1
  Fe  Fe17  1  0.823158  0.823785  0.311273  1
  Fe  Fe18  1  0.156025  0.490354  0.310816  1
  Fe  Fe19  1  0.885467  0.218693  0.376392  1
  Fe  Fe20  1  0.218115  0.886045  0.376392  1
  Fe  Fe21  1  0.280058  0.280667  0.339036  1
  Fe  Fe22  1  0.551500  0.552075  0.376289  1
  Fe  Fe23  1  0.612190  0.946656  0.339305  1
  Fe  Fe24  1  0.580800  0.249123  0.357373  1
  Fe  Fe25  1  0.946049  0.612796  0.339304  1
  Fe  Fe26  1  0.915102  0.915698  0.357743  1
  Fe  Fe27  1  0.248527  0.581396  0.357372  1
  Fe  Fe28  1  0.702449  0.036998  0.385587  1
  Fe  Fe29  1  0.036429  0.703017  0.385586  1
  Fe  Fe30  1  0.097736  0.098339  0.348158  1
  Fe  Fe31  1  0.462344  0.462971  0.329812  1
  Fe  Fe32  1  0.429400  0.765005  0.348369  1
  Fe  Fe33  1  0.398947  0.066804  0.366477  1
  Fe  Fe34  1  0.764402  0.430002  0.348369  1
  Fe  Fe35  1  0.734056  0.734640  0.367391  1
  Fe  Fe36  1  0.066221  0.399527  0.366477  1
  Fe  Fe37  1  0.793056  0.127041  0.431827  1
  Fe  Fe38  1  0.126517  0.793580  0.431827  1
  Fe  Fe39  1  0.187586  0.188143  0.394631  1
  Fe  Fe40  1  0.459735  0.460259  0.431730  1
  Fe  Fe41  1  0.520262  0.855041  0.394724  1
  Fe  Fe42  1  0.489730  0.157358  0.413085  1
  Fe  Fe43  1  0.854483  0.520818  0.394723  1
  Fe  Fe44  1  0.823915  0.824457  0.413419  1
  Fe  Fe45  1  0.156816  0.490271  0.413085  1
  Fe  Fe46  1  0.610905  0.945142  0.441042  1
  Fe  Fe47  1  0.944626  0.611420  0.441041  1
  Fe  Fe48  1  0.005630  0.006182  0.404040  1
  Fe  Fe49  1  0.369473  0.370043  0.385390  1
  Fe  Fe50  1  0.338534  0.672526  0.403888  1
  Fe  Fe51  1  0.308258  0.975805  0.422563  1
  Fe  Fe52  1  0.671977  0.339084  0.403888  1
  Fe  Fe53  1  0.641782  0.642314  0.422527  1
  Fe  Fe54  1  0.975272  0.308790  0.422563  1
  Fe  Fe55  1  0.701317  0.035334  0.487347  1
  Fe  Fe56  1  0.034861  0.701789  0.487346  1
  Fe  Fe57  1  0.095933  0.096440  0.450350  1
  Fe  Fe58  1  0.368197  0.368670  0.487384  1
  Fe  Fe59  1  0.429079  0.762952  0.450261  1
  Fe  Fe60  1  0.398599  0.065907  0.468850  1
  Fe  Fe61  1  0.762446  0.429586  0.450261  1
  Fe  Fe62  1  0.732017  0.732506  0.468821  1
  Fe  Fe63  1  0.065417  0.399088  0.468850  1
  Fe  Fe64  1  0.519492  0.853273  0.496604  1
  Fe  Fe65  1  0.852810  0.519955  0.496604  1
  Fe  Fe66  1  0.914037  0.914536  0.459632  1
  Fe  Fe67  1  0.277832  0.278348  0.441023  1
  Fe  Fe68  1  0.247235  0.580868  0.459506  1
  Fe  Fe69  1  0.216798  0.883820  0.478113  1
  Fe  Fe70  1  0.580370  0.247733  0.459507  1
  Fe  Fe71  1  0.550055  0.550535  0.478067  1
  Fe  Fe72  1  0.883340  0.217279  0.478113  1
  Fe  Fe73  1  0.609889  0.943572  0.542938  1
  Fe  Fe74  1  0.943153  0.610309  0.542938  1
  Fe  Fe75  1  0.004300  0.004755  0.505897  1
  Fe  Fe76  1  0.276680  0.277101  0.543019  1
  Fe  Fe77  1  0.337652  0.671221  0.505871  1
  Fe  Fe78  1  0.307115  0.974040  0.524411  1
  Fe  Fe79  1  0.670766  0.338107  0.505871  1
  Fe  Fe80  1  0.640378  0.640815  0.524393  1
  Fe  Fe81  1  0.973603  0.307553  0.524411  1
  Fe  Fe82  1  0.428108  0.761462  0.552220  1
  Fe  Fe83  1  0.761051  0.428520  0.552221  1
  Fe  Fe84  1  0.822299  0.822745  0.515116  1
  Fe  Fe85  1  0.186276  0.186740  0.496669  1
  Fe  Fe86  1  0.155703  0.489383  0.515166  1
  Fe  Fe87  1  0.125133  0.792042  0.533635  1
  Fe  Fe88  1  0.488937  0.156150  0.515167  1
  Fe  Fe89  1  0.458620  0.459049  0.533770  1
  Fe  Fe90  1  0.791614  0.125562  0.533635  1
  Fe  Fe91  1  0.518706  0.851527  0.598590  1
  Fe  Fe92  1  0.851159  0.519076  0.598591  1
  Fe  Fe93  1  0.912584  0.912986  0.561396  1
  Fe  Fe94  1  0.185056  0.185424  0.598451  1
  Fe  Fe95  1  0.246017  0.579668  0.561494  1
  Fe  Fe96  1  0.215396  0.882069  0.579882  1
  Fe  Fe97  1  0.579265  0.246419  0.561494  1
  Fe  Fe98  1  0.549197  0.549583  0.580229  1
  Fe  Fe99  1  0.881684  0.215781  0.579883  1
  Fe  Fe100  1  0.336512  0.669695  0.607836  1
  Fe  Fe101  1  0.669336  0.336872  0.607836  1
  Fe  Fe102  1  0.730655  0.731049  0.570688  1
  Fe  Fe103  1  0.094614  0.095025  0.552180  1
  Fe  Fe104  1  0.063754  0.397868  0.570701  1
  Fe  Fe105  1  0.033490  0.700731  0.589291  1
  Fe  Fe106  1  0.397473  0.064148  0.570701  1
  Fe  Fe107  1  0.367270  0.367647  0.589424  1
  Fe  Fe108  1  0.700355  0.033866  0.589291  1
  Fe  Fe109  1  0.426249  0.759436  0.654199  1
  Fe  Fe110  1  0.759118  0.426568  0.654199  1
  Fe  Fe111  1  0.820667  0.821014  0.616882  1
  Fe  Fe112  1  0.093579  0.093900  0.653943  1
  Fe  Fe113  1  0.153838  0.488350  0.616930  1
  Fe  Fe114  1  0.124539  0.790739  0.635729  1
  Fe  Fe115  1  0.488000  0.154187  0.616930  1
  Fe  Fe116  1  0.457981  0.458316  0.636046  1
  Fe  Fe117  1  0.790405  0.124873  0.635730  1
  Fe  Fe118  1  0.242775  0.578571  0.663285  1
  Fe  Fe119  1  0.578264  0.243079  0.663286  1
  Fe  Fe120  1  0.639966  0.640312  0.626900  1
  Fe  Fe121  1  0.002938  0.003298  0.607645  1
  Fe  Fe122  1  0.971454  0.305725  0.625976  1
  Fe  Fe123  1  0.940967  0.609674  0.645053  1
  Fe  Fe124  1  0.305382  0.971796  0.625976  1
  Fe  Fe125  1  0.275886  0.276207  0.644703  1
  Fe  Fe126  1  0.609351  0.941288  0.645052  1
  Fe  Fe127  1  0.326251  0.661266  0.709494  1
  Fe  Fe128  1  0.660995  0.326531  0.709494  1
  Fe  Fe129  1  0.732187  0.732488  0.673802  1
  Fe  Fe130  1  0.993411  0.993688  0.708740  1
  Fe  Fe131  1  0.063345  0.395771  0.671270  1
  Fe  Fe132  1  0.029877  0.701913  0.691740  1
  Fe  Fe133  1  0.395487  0.063635  0.671270  1
  Fe  Fe134  1  0.367006  0.367297  0.691164  1
  Fe  Fe135  1  0.701626  0.030146  0.691741  1
  Fe  Fe136  1  0.141922  0.473502  0.717667  1
  Fe  Fe137  1  0.473248  0.142186  0.717667  1
  Fe  Fe138  1  0.550168  0.550470  0.682689  1
  Fe  Fe139  1  0.912328  0.912634  0.662207  1
  Fe  Fe140  1  0.883032  0.216358  0.682282  1
  Fe  Fe141  1  0.851319  0.509262  0.700610  1
  Fe  Fe142  1  0.216059  0.883335  0.682281  1
  Fe  Fe143  1  0.181730  0.181976  0.700677  1
  Fe  Fe144  1  0.508985  0.851576  0.700610  1
