# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99889776
_cell_length_b   8.99590159
_cell_length_c   46.60119224
_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   3753.60560284
_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  0.967650  0.301450  0.323070  1
  Fe  Fe2  1  0.304312  0.970249  0.325631  1
  Fe  Fe3  1  0.373544  0.372665  0.287338  1
  Fe  Fe4  1  0.636439  0.638126  0.325631  1
  Fe  Fe5  1  0.706556  0.040377  0.288082  1
  Fe  Fe6  1  0.669666  0.332026  0.305149  1
  Fe  Fe7  1  0.038841  0.707362  0.287338  1
  Fe  Fe8  1  0.998216  0.003490  0.305148  1
  Fe  Fe9  1  0.332703  0.666511  0.305709  1
  Fe  Fe10  1  0.787610  0.121409  0.334671  1
  Fe  Fe11  1  0.226717  0.891598  0.279088  1
  Fe  Fe12  1  0.191113  0.181904  0.296264  1
  Fe  Fe13  1  0.557768  0.560553  0.279088  1
  Fe  Fe14  1  0.517903  0.851741  0.296197  1
  Fe  Fe15  1  0.483694  0.150497  0.314589  1
  Fe  Fe16  1  0.848073  0.524932  0.296264  1
  Fe  Fe17  1  0.816697  0.817496  0.314589  1
  Fe  Fe18  1  0.149616  0.483418  0.314192  1
  Fe  Fe19  1  0.879374  0.213142  0.380024  1
  Fe  Fe20  1  0.212039  0.879981  0.379968  1
  Fe  Fe21  1  0.273689  0.274630  0.342677  1
  Fe  Fe22  1  0.546213  0.545806  0.379967  1
  Fe  Fe23  1  0.606371  0.940158  0.342930  1
  Fe  Fe24  1  0.575431  0.243388  0.361153  1
  Fe  Fe25  1  0.940841  0.607478  0.342676  1
  Fe  Fe26  1  0.909610  0.909208  0.361152  1
  Fe  Fe27  1  0.242001  0.575778  0.360848  1
  Fe  Fe28  1  0.697136  0.030895  0.389252  1
  Fe  Fe29  1  0.121694  0.790826  0.333596  1
  Fe  Fe30  1  0.090599  0.092842  0.351833  1
  Fe  Fe31  1  0.457027  0.455491  0.333597  1
  Fe  Fe32  1  0.424069  0.757856  0.352190  1
  Fe  Fe33  1  0.394647  0.062361  0.370924  1
  Fe  Fe34  1  0.759055  0.424384  0.351833  1
  Fe  Fe35  1  0.728588  0.728419  0.370924  1
  Fe  Fe36  1  0.060047  0.393815  0.369999  1
  Fe  Fe37  1  0.787573  0.121303  0.435534  1
  Fe  Fe38  1  0.120892  0.787882  0.435436  1
  Fe  Fe39  1  0.181373  0.182668  0.398322  1
  Fe  Fe40  1  0.454153  0.454621  0.435436  1
  Fe  Fe41  1  0.515028  0.848781  0.398455  1
  Fe  Fe42  1  0.484730  0.152175  0.417041  1
  Fe  Fe43  1  0.848915  0.515125  0.398322  1
  Fe  Fe44  1  0.818434  0.818471  0.417040  1
  Fe  Fe45  1  0.150920  0.484660  0.416695  1
  Fe  Fe46  1  0.605566  0.939288  0.444752  1
  Fe  Fe47  1  0.030715  0.697303  0.389073  1
  Fe  Fe48  1  0.999729  1.000352  0.407621  1
  Fe  Fe49  1  0.363544  0.364474  0.389073  1
  Fe  Fe50  1  0.332832  0.666578  0.407495  1
  Fe  Fe51  1  0.302674  0.970117  0.426224  1
  Fe  Fe52  1  0.666604  0.333477  0.407621  1
  Fe  Fe53  1  0.636382  0.636408  0.426224  1
  Fe  Fe54  1  0.969482  0.303217  0.426239  1
  Fe  Fe55  1  0.695977  0.029668  0.491061  1
  Fe  Fe56  1  0.029513  0.696320  0.491088  1
  Fe  Fe57  1  0.090307  0.090758  0.454000  1
  Fe  Fe58  1  0.362629  0.363205  0.491089  1
  Fe  Fe59  1  0.423523  0.757238  0.453922  1
  Fe  Fe60  1  0.393128  0.060337  0.472539  1
  Fe  Fe61  1  0.757042  0.424023  0.454000  1
  Fe  Fe62  1  0.726633  0.726831  0.472538  1
  Fe  Fe63  1  0.059859  0.393563  0.472556  1
  Fe  Fe64  1  0.514025  0.847710  0.500296  1
  Fe  Fe65  1  0.939126  0.605798  0.444716  1
  Fe  Fe66  1  0.908604  0.908796  0.463310  1
  Fe  Fe67  1  0.272076  0.272848  0.444716  1
  Fe  Fe68  1  0.241600  0.575309  0.463175  1
  Fe  Fe69  1  0.211322  0.878256  0.481788  1
  Fe  Fe70  1  0.575086  0.242314  0.463310  1
  Fe  Fe71  1  0.544559  0.545020  0.481788  1
  Fe  Fe72  1  0.877960  0.211658  0.481838  1
  Fe  Fe73  1  0.604472  0.938126  0.546641  1
  Fe  Fe74  1  0.937952  0.604972  0.546727  1
  Fe  Fe75  1  0.999001  0.999136  0.509622  1
  Fe  Fe76  1  0.271317  0.271607  0.546727  1
  Fe  Fe77  1  0.332119  0.665797  0.509584  1
  Fe  Fe78  1  0.301758  0.968611  0.528128  1
  Fe  Fe79  1  0.665458  0.332680  0.509622  1
  Fe  Fe80  1  0.634946  0.635425  0.528128  1
  Fe  Fe81  1  0.968341  0.302008  0.528157  1
  Fe  Fe82  1  0.422583  0.756231  0.555966  1
  Fe  Fe83  1  0.847487  0.514491  0.500359  1
  Fe  Fe84  1  0.816998  0.817215  0.518860  1
  Fe  Fe85  1  0.180806  0.181173  0.500359  1
  Fe  Fe86  1  0.150282  0.483954  0.518906  1
  Fe  Fe87  1  0.120008  0.786805  0.537477  1
  Fe  Fe88  1  0.483543  0.150670  0.518860  1
  Fe  Fe89  1  0.453145  0.453669  0.537477  1
  Fe  Fe90  1  0.786341  0.120001  0.537350  1
  Fe  Fe91  1  0.512937  0.846554  0.602381  1
  Fe  Fe92  1  0.846034  0.513868  0.602294  1
  Fe  Fe93  1  0.907378  0.907569  0.565170  1
  Fe  Fe94  1  0.180250  0.179650  0.602294  1
  Fe  Fe95  1  0.240697  0.574338  0.565267  1
  Fe  Fe96  1  0.210750  0.877298  0.583920  1
  Fe  Fe97  1  0.573928  0.241019  0.565170  1
  Fe  Fe98  1  0.543669  0.544380  0.583920  1
  Fe  Fe99  1  0.876561  0.210189  0.583585  1
  Fe  Fe100  1  0.331072  0.664681  0.611625  1
  Fe  Fe101  1  0.755793  0.423156  0.555952  1
  Fe  Fe102  1  0.725191  0.725833  0.574437  1
  Fe  Fe103  1  0.089508  0.089440  0.555951  1
  Fe  Fe104  1  0.058673  0.392309  0.574475  1
  Fe  Fe105  1  0.028519  0.695592  0.593124  1
  Fe  Fe106  1  0.392197  0.058826  0.574437  1
  Fe  Fe107  1  0.361969  0.362142  0.593124  1
  Fe  Fe108  1  0.694884  0.028505  0.592979  1
  Fe  Fe109  1  0.420599  0.754179  0.658009  1
  Fe  Fe110  1  0.754602  0.422043  0.657752  1
  Fe  Fe111  1  0.815079  0.816052  0.620629  1
  Fe  Fe112  1  0.088461  0.088184  0.657751  1
  Fe  Fe113  1  0.149046  0.482651  0.620742  1
  Fe  Fe114  1  0.119829  0.785653  0.639662  1
  Fe  Fe115  1  0.482450  0.148681  0.620629  1
  Fe  Fe116  1  0.452063  0.453420  0.639662  1
  Fe  Fe117  1  0.785516  0.119106  0.639305  1
  Fe  Fe118  1  0.238423  0.571991  0.667223  1
  Fe  Fe119  1  0.664107  0.331689  0.611442  1
  Fe  Fe120  1  0.634351  0.635244  0.630556  1
  Fe  Fe121  1  0.998079  0.997717  0.611442  1
  Fe  Fe122  1  0.966504  0.300102  0.629639  1
  Fe  Fe123  1  0.936174  0.604850  0.648670  1
  Fe  Fe124  1  0.301643  0.967951  0.630556  1
  Fe  Fe125  1  0.271264  0.269759  0.648669  1
  Fe  Fe126  1  0.602879  0.936465  0.648887  1
  Fe  Fe127  1  0.321065  0.654612  0.713358  1
  Fe  Fe128  1  0.654262  0.319433  0.712563  1
  Fe  Fe129  1  0.727786  0.726812  0.677329  1
  Fe  Fe130  1  0.985883  0.987805  0.712564  1
  Fe  Fe131  1  0.057853  0.391413  0.674811  1
  Fe  Fe132  1  0.024547  0.696876  0.695387  1
  Fe  Fe133  1  0.393241  0.061360  0.677328  1
  Fe  Fe134  1  0.363318  0.358092  0.695388  1
  Fe  Fe135  1  0.693625  0.027167  0.695425  1
  Fe  Fe136  1  0.135347  0.468882  0.721386  1
  Fe  Fe137  1  0.574314  0.239725  0.666012  1
  Fe  Fe138  1  0.544813  0.544665  0.686233  1
  Fe  Fe139  1  0.906159  0.907882  0.666011  1
  Fe  Fe140  1  0.877728  0.211296  0.685794  1
  Fe  Fe141  1  0.845445  0.503174  0.704317  1
  Fe  Fe142  1  0.211097  0.878382  0.686232  1
  Fe  Fe143  1  0.169623  0.178981  0.704317  1
  Fe  Fe144  1  0.506478  0.840035  0.704157  1
