# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12040423
_cell_length_b   10.31531313
_cell_length_c   45.72362605
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe132
_cell_volume   3523.10344622
_cell_formula_units_Z   132
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  0.268176  0.119953  0.315039  1
  Fe  Fe2  1  0.768176  0.119953  0.315039  1
  Fe  Fe3  1  0.704714  0.492830  0.301543  1
  Fe  Fe4  1  0.135010  0.853187  0.289230  1
  Fe  Fe5  1  0.204714  0.492830  0.301543  1
  Fe  Fe6  1  0.635010  0.853187  0.289230  1
  Fe  Fe7  1  0.954714  0.992830  0.301543  1
  Fe  Fe8  1  0.454714  0.992830  0.301543  1
  Fe  Fe9  1  0.385010  0.353187  0.289230  1
  Fe  Fe10  1  0.518176  0.619953  0.315039  1
  Fe  Fe11  1  0.885010  0.353187  0.289230  1
  Fe  Fe12  1  0.018176  0.619953  0.315039  1
  Fe  Fe13  1  0.974792  0.033408  0.354264  1
  Fe  Fe14  1  0.474792  0.033408  0.354264  1
  Fe  Fe15  1  0.405455  0.394636  0.341362  1
  Fe  Fe16  1  0.838353  0.760319  0.325780  1
  Fe  Fe17  1  0.905455  0.394636  0.341362  1
  Fe  Fe18  1  0.338353  0.760319  0.325780  1
  Fe  Fe19  1  0.655455  0.894636  0.341362  1
  Fe  Fe20  1  0.155455  0.894636  0.341362  1
  Fe  Fe21  1  0.088353  0.260319  0.325780  1
  Fe  Fe22  1  0.224792  0.533408  0.354264  1
  Fe  Fe23  1  0.588353  0.260319  0.325780  1
  Fe  Fe24  1  0.724792  0.533408  0.354264  1
  Fe  Fe25  1  0.678397  0.940922  0.394462  1
  Fe  Fe26  1  0.178397  0.940922  0.394462  1
  Fe  Fe27  1  0.110303  0.304639  0.380434  1
  Fe  Fe28  1  0.542155  0.668255  0.367713  1
  Fe  Fe29  1  0.610303  0.304639  0.380434  1
  Fe  Fe30  1  0.042155  0.668255  0.367713  1
  Fe  Fe31  1  0.360303  0.804639  0.380434  1
  Fe  Fe32  1  0.860303  0.804639  0.380434  1
  Fe  Fe33  1  0.792155  0.168255  0.367713  1
  Fe  Fe34  1  0.928397  0.440922  0.394462  1
  Fe  Fe35  1  0.292155  0.168255  0.367713  1
  Fe  Fe36  1  0.428397  0.440922  0.394462  1
  Fe  Fe37  1  0.382708  0.849837  0.434245  1
  Fe  Fe38  1  0.882708  0.849837  0.434245  1
  Fe  Fe39  1  0.814609  0.213546  0.421046  1
  Fe  Fe40  1  0.246691  0.577608  0.407659  1
  Fe  Fe41  1  0.314609  0.213546  0.421046  1
  Fe  Fe42  1  0.746691  0.577608  0.407659  1
  Fe  Fe43  1  0.064609  0.713546  0.421046  1
  Fe  Fe44  1  0.564609  0.713546  0.421046  1
  Fe  Fe45  1  0.496691  0.077608  0.407659  1
  Fe  Fe46  1  0.632708  0.349837  0.434245  1
  Fe  Fe47  1  0.996691  0.077608  0.407659  1
  Fe  Fe48  1  0.132708  0.349837  0.434245  1
  Fe  Fe49  1  0.086995  0.758702  0.474491  1
  Fe  Fe50  1  0.586995  0.758702  0.474491  1
  Fe  Fe51  1  0.518954  0.122523  0.461126  1
  Fe  Fe52  1  0.950810  0.486138  0.447804  1
  Fe  Fe53  1  0.018954  0.122523  0.461126  1
  Fe  Fe54  1  0.450810  0.486138  0.447804  1
  Fe  Fe55  1  0.768954  0.622523  0.461126  1
  Fe  Fe56  1  0.268954  0.622523  0.461126  1
  Fe  Fe57  1  0.200810  0.986138  0.447804  1
  Fe  Fe58  1  0.336995  0.258702  0.474491  1
  Fe  Fe59  1  0.700810  0.986138  0.447804  1
  Fe  Fe60  1  0.836995  0.258702  0.474491  1
  Fe  Fe61  1  0.791292  0.667583  0.514629  1
  Fe  Fe62  1  0.291292  0.667583  0.514629  1
  Fe  Fe63  1  0.223185  0.031272  0.501223  1
  Fe  Fe64  1  0.655078  0.394962  0.487818  1
  Fe  Fe65  1  0.723185  0.031272  0.501223  1
  Fe  Fe66  1  0.155078  0.394962  0.487818  1
  Fe  Fe67  1  0.473185  0.531272  0.501223  1
  Fe  Fe68  1  0.973185  0.531272  0.501223  1
  Fe  Fe69  1  0.905078  0.894962  0.487818  1
  Fe  Fe70  1  0.041292  0.167583  0.514629  1
  Fe  Fe71  1  0.405078  0.894962  0.487818  1
  Fe  Fe72  1  0.541292  0.167583  0.514629  1
  Fe  Fe73  1  0.495559  0.576407  0.554642  1
  Fe  Fe74  1  0.995559  0.576407  0.554642  1
  Fe  Fe75  1  0.927415  0.940022  0.541321  1
  Fe  Fe76  1  0.359374  0.303843  0.527956  1
  Fe  Fe77  1  0.427415  0.940022  0.541321  1
  Fe  Fe78  1  0.859374  0.303843  0.527956  1
  Fe  Fe79  1  0.177415  0.440022  0.541321  1
  Fe  Fe80  1  0.677415  0.440022  0.541321  1
  Fe  Fe81  1  0.609374  0.803843  0.527956  1
  Fe  Fe82  1  0.745559  0.076407  0.554642  1
  Fe  Fe83  1  0.109374  0.803843  0.527956  1
  Fe  Fe84  1  0.245559  0.076407  0.554642  1
  Fe  Fe85  1  0.199679  0.484937  0.594787  1
  Fe  Fe86  1  0.699679  0.484937  0.594787  1
  Fe  Fe87  1  0.631760  0.848999  0.581401  1
  Fe  Fe88  1  0.063661  0.212708  0.568202  1
  Fe  Fe89  1  0.131760  0.848999  0.581401  1
  Fe  Fe90  1  0.563661  0.212708  0.568202  1
  Fe  Fe91  1  0.881760  0.348999  0.581401  1
  Fe  Fe92  1  0.381760  0.348999  0.581401  1
  Fe  Fe93  1  0.313661  0.712708  0.568202  1
  Fe  Fe94  1  0.449679  0.984937  0.594787  1
  Fe  Fe95  1  0.813661  0.712708  0.568202  1
  Fe  Fe96  1  0.949679  0.984937  0.594787  1
  Fe  Fe97  1  0.904214  0.394290  0.634734  1
  Fe  Fe98  1  0.404214  0.394290  0.634734  1
  Fe  Fe99  1  0.336067  0.757906  0.622013  1
  Fe  Fe100  1  0.767973  0.121623  0.607985  1
  Fe  Fe101  1  0.836067  0.757906  0.622013  1
  Fe  Fe102  1  0.267973  0.121623  0.607985  1
  Fe  Fe103  1  0.586067  0.257906  0.622013  1
  Fe  Fe104  1  0.086067  0.257906  0.622013  1
  Fe  Fe105  1  0.017973  0.621623  0.607985  1
  Fe  Fe106  1  0.154214  0.894290  0.634734  1
  Fe  Fe107  1  0.517973  0.621623  0.607985  1
  Fe  Fe108  1  0.654214  0.894290  0.634734  1
  Fe  Fe109  1  0.608016  0.302226  0.676667  1
  Fe  Fe110  1  0.108016  0.302226  0.676667  1
  Fe  Fe111  1  0.040915  0.667909  0.661085  1
  Fe  Fe112  1  0.471578  0.029137  0.648183  1
  Fe  Fe113  1  0.540915  0.667909  0.661085  1
  Fe  Fe114  1  0.971578  0.029137  0.648183  1
  Fe  Fe115  1  0.290915  0.167909  0.661085  1
  Fe  Fe116  1  0.790915  0.167909  0.661085  1
  Fe  Fe117  1  0.721578  0.529137  0.648183  1
  Fe  Fe118  1  0.858016  0.802226  0.676667  1
  Fe  Fe119  1  0.221578  0.529137  0.648183  1
  Fe  Fe120  1  0.358016  0.802226  0.676667  1
  Fe  Fe121  1  0.311359  0.209358  0.713216  1
  Fe  Fe122  1  0.811359  0.209358  0.713216  1
  Fe  Fe123  1  0.741655  0.569715  0.700904  1
  Fe  Fe124  1  0.178194  0.942592  0.687408  1
  Fe  Fe125  1  0.241655  0.569715  0.700904  1
  Fe  Fe126  1  0.678194  0.942592  0.687408  1
  Fe  Fe127  1  0.991655  0.069715  0.700904  1
  Fe  Fe128  1  0.491655  0.069715  0.700904  1
  Fe  Fe129  1  0.428194  0.442592  0.687408  1
  Fe  Fe130  1  0.561359  0.709358  0.713216  1
  Fe  Fe131  1  0.928194  0.442592  0.687408  1
  Fe  Fe132  1  0.061359  0.709358  0.713216  1
