# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99950868
_cell_length_b   8.99625656
_cell_length_c   46.59897868
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe144
_cell_volume   3753.83023324
_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  0.972124  0.307160  0.320290  1
  Fe  Fe2  1  0.306670  0.972611  0.320291  1
  Fe  Fe3  1  0.378839  0.379354  0.284262  1
  Fe  Fe4  1  0.642056  0.642557  0.322808  1
  Fe  Fe5  1  0.714017  0.046157  0.285056  1
  Fe  Fe6  1  0.675356  0.337094  0.302232  1
  Fe  Fe7  1  0.045637  0.714529  0.285056  1
  Fe  Fe8  1  0.006279  0.006801  0.302194  1
  Fe  Fe9  1  0.336590  0.675874  0.302232  1
  Fe  Fe10  1  0.793753  0.126092  0.331607  1
  Fe  Fe11  1  0.125599  0.794248  0.331607  1
  Fe  Fe12  1  0.193429  0.193933  0.293462  1
  Fe  Fe13  1  0.564550  0.565079  0.276234  1
  Fe  Fe14  1  0.530283  0.854982  0.293303  1
  Fe  Fe15  1  0.488812  0.155588  0.311387  1
  Fe  Fe16  1  0.854455  0.530794  0.293303  1
  Fe  Fe17  1  0.822180  0.822673  0.311825  1
  Fe  Fe18  1  0.155096  0.489304  0.311386  1
  Fe  Fe19  1  0.884842  0.217926  0.376990  1
  Fe  Fe20  1  0.217471  0.885298  0.376990  1
  Fe  Fe21  1  0.279315  0.279794  0.339610  1
  Fe  Fe22  1  0.550875  0.551328  0.376877  1
  Fe  Fe23  1  0.611453  0.945790  0.339868  1
  Fe  Fe24  1  0.580089  0.248323  0.357957  1
  Fe  Fe25  1  0.945312  0.611930  0.339867  1
  Fe  Fe26  1  0.914401  0.914870  0.358314  1
  Fe  Fe27  1  0.247854  0.580557  0.357956  1
  Fe  Fe28  1  0.701844  0.036263  0.386177  1
  Fe  Fe29  1  0.035815  0.702291  0.386177  1
  Fe  Fe30  1  0.097036  0.097510  0.348731  1
  Fe  Fe31  1  0.461488  0.461981  0.330396  1
  Fe  Fe32  1  0.428652  0.764216  0.348950  1
  Fe  Fe33  1  0.398277  0.066026  0.367062  1
  Fe  Fe34  1  0.763741  0.429125  0.348949  1
  Fe  Fe35  1  0.733415  0.733875  0.367980  1
  Fe  Fe36  1  0.065568  0.398733  0.367062  1
  Fe  Fe37  1  0.792553  0.126417  0.432448  1
  Fe  Fe38  1  0.126003  0.792967  0.432448  1
  Fe  Fe39  1  0.186987  0.187426  0.395238  1
  Fe  Fe40  1  0.459234  0.459648  0.432352  1
  Fe  Fe41  1  0.519675  0.854331  0.395325  1
  Fe  Fe42  1  0.489178  0.156685  0.413698  1
  Fe  Fe43  1  0.853891  0.520114  0.395324  1
  Fe  Fe44  1  0.823366  0.823794  0.414033  1
  Fe  Fe45  1  0.156258  0.489604  0.413698  1
  Fe  Fe46  1  0.610425  0.944547  0.441667  1
  Fe  Fe47  1  0.944140  0.610831  0.441667  1
  Fe  Fe48  1  0.005042  0.005477  0.404640  1
  Fe  Fe49  1  0.368850  0.369299  0.385993  1
  Fe  Fe50  1  0.337957  0.671841  0.404495  1
  Fe  Fe51  1  0.307732  0.975158  0.423182  1
  Fe  Fe52  1  0.671408  0.338391  0.404495  1
  Fe  Fe53  1  0.641256  0.641676  0.423143  1
  Fe  Fe54  1  0.974738  0.308152  0.423182  1
  Fe  Fe55  1  0.700941  0.034857  0.487997  1
  Fe  Fe56  1  0.034484  0.701314  0.487996  1
  Fe  Fe57  1  0.095462  0.095863  0.450977  1
  Fe  Fe58  1  0.367823  0.368196  0.488034  1
  Fe  Fe59  1  0.428618  0.762382  0.450892  1
  Fe  Fe60  1  0.398180  0.065380  0.469491  1
  Fe  Fe61  1  0.761983  0.429017  0.450892  1
  Fe  Fe62  1  0.731597  0.731983  0.469462  1
  Fe  Fe63  1  0.064993  0.398566  0.469490  1
  Fe  Fe64  1  0.519138  0.852822  0.497259  1
  Fe  Fe65  1  0.852456  0.519504  0.497259  1
  Fe  Fe66  1  0.913596  0.913989  0.460269  1
  Fe  Fe67  1  0.277350  0.277756  0.441652  1
  Fe  Fe68  1  0.246792  0.580321  0.460141  1
  Fe  Fe69  1  0.216398  0.883322  0.478758  1
  Fe  Fe70  1  0.579928  0.247185  0.460142  1
  Fe  Fe71  1  0.549659  0.550038  0.478712  1
  Fe  Fe72  1  0.882943  0.216777  0.478758  1
  Fe  Fe73  1  0.609645  0.943243  0.543618  1
  Fe  Fe74  1  0.942911  0.609978  0.543618  1
  Fe  Fe75  1  0.003968  0.004328  0.506557  1
  Fe  Fe76  1  0.276430  0.276763  0.543696  1
  Fe  Fe77  1  0.337316  0.670791  0.506530  1
  Fe  Fe78  1  0.306821  0.973661  0.525079  1
  Fe  Fe79  1  0.670432  0.337676  0.506530  1
  Fe  Fe80  1  0.640090  0.640435  0.525062  1
  Fe  Fe81  1  0.973316  0.307167  0.525080  1
  Fe  Fe82  1  0.427878  0.761154  0.552902  1
  Fe  Fe83  1  0.760829  0.428205  0.552902  1
  Fe  Fe84  1  0.821987  0.822339  0.515780  1
  Fe  Fe85  1  0.185918  0.186285  0.497322  1
  Fe  Fe86  1  0.155388  0.488978  0.515830  1
  Fe  Fe87  1  0.124864  0.791685  0.534308  1
  Fe  Fe88  1  0.488625  0.155741  0.515830  1
  Fe  Fe89  1  0.458351  0.458690  0.534444  1
  Fe  Fe90  1  0.791347  0.125203  0.534308  1
  Fe  Fe91  1  0.518590  0.851340  0.599296  1
  Fe  Fe92  1  0.851048  0.518883  0.599296  1
  Fe  Fe93  1  0.912383  0.912701  0.562084  1
  Fe  Fe94  1  0.184935  0.185227  0.599163  1
  Fe  Fe95  1  0.245803  0.579383  0.562182  1
  Fe  Fe96  1  0.215229  0.881831  0.580577  1
  Fe  Fe97  1  0.579064  0.246122  0.562182  1
  Fe  Fe98  1  0.549039  0.549346  0.580923  1
  Fe  Fe99  1  0.881526  0.215535  0.580578  1
  Fe  Fe100  1  0.336421  0.669536  0.608545  1
  Fe  Fe101  1  0.669251  0.336706  0.608545  1
  Fe  Fe102  1  0.730476  0.730788  0.571379  1
  Fe  Fe103  1  0.094388  0.094714  0.552866  1
  Fe  Fe104  1  0.063576  0.397596  0.571394  1
  Fe  Fe105  1  0.033358  0.700531  0.589997  1
  Fe  Fe106  1  0.397284  0.063888  0.571394  1
  Fe  Fe107  1  0.367129  0.367428  0.590123  1
  Fe  Fe108  1  0.700233  0.033655  0.589997  1
  Fe  Fe109  1  0.426285  0.759386  0.654941  1
  Fe  Fe110  1  0.759133  0.426539  0.654941  1
  Fe  Fe111  1  0.820593  0.820869  0.617594  1
  Fe  Fe112  1  0.093602  0.093857  0.654688  1
  Fe  Fe113  1  0.153754  0.488205  0.617650  1
  Fe  Fe114  1  0.124539  0.790626  0.636465  1
  Fe  Fe115  1  0.487928  0.154030  0.617650  1
  Fe  Fe116  1  0.457969  0.458235  0.636769  1
  Fe  Fe117  1  0.790361  0.124805  0.636466  1
  Fe  Fe118  1  0.242950  0.578526  0.664020  1
  Fe  Fe119  1  0.578282  0.243192  0.664021  1
  Fe  Fe120  1  0.639922  0.640197  0.627619  1
  Fe  Fe121  1  0.002829  0.003114  0.608365  1
  Fe  Fe122  1  0.971380  0.305593  0.626694  1
  Fe  Fe123  1  0.940917  0.609630  0.645785  1
  Fe  Fe124  1  0.305322  0.971651  0.626694  1
  Fe  Fe125  1  0.275903  0.276158  0.645428  1
  Fe  Fe126  1  0.609373  0.941172  0.645784  1
  Fe  Fe127  1  0.326441  0.661359  0.710279  1
  Fe  Fe128  1  0.661143  0.326662  0.710279  1
  Fe  Fe129  1  0.732326  0.732567  0.674548  1
  Fe  Fe130  1  0.993432  0.993651  0.709535  1
  Fe  Fe131  1  0.063540  0.395892  0.671986  1
  Fe  Fe132  1  0.030318  0.701993  0.692468  1
  Fe  Fe133  1  0.395666  0.063771  0.671986  1
  Fe  Fe134  1  0.367278  0.367510  0.691908  1
  Fe  Fe135  1  0.701763  0.030534  0.692469  1
  Fe  Fe136  1  0.142222  0.473474  0.718528  1
  Fe  Fe137  1  0.473272  0.142431  0.718528  1
  Fe  Fe138  1  0.550362  0.550602  0.683425  1
  Fe  Fe139  1  0.912365  0.912607  0.662947  1
  Fe  Fe140  1  0.883283  0.216524  0.683029  1
  Fe  Fe141  1  0.851913  0.509087  0.701353  1
  Fe  Fe142  1  0.216286  0.883523  0.683028  1
  Fe  Fe143  1  0.182084  0.182283  0.701420  1
  Fe  Fe144  1  0.508867  0.852121  0.701353  1
