# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07208027
_cell_length_b   10.27341596
_cell_length_c   45.63393361
_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   3481.07128719
_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  0.269055  0.120357  0.313909  1
  Fe  Fe2  1  0.769055  0.120357  0.313909  1
  Fe  Fe3  1  0.704725  0.491607  0.300001  1
  Fe  Fe4  1  0.133476  0.848955  0.288075  1
  Fe  Fe5  1  0.204725  0.491607  0.300001  1
  Fe  Fe6  1  0.633476  0.848955  0.288075  1
  Fe  Fe7  1  0.954725  0.991607  0.300001  1
  Fe  Fe8  1  0.454725  0.991607  0.300001  1
  Fe  Fe9  1  0.383476  0.348955  0.288075  1
  Fe  Fe10  1  0.519055  0.620357  0.313909  1
  Fe  Fe11  1  0.883476  0.348955  0.288075  1
  Fe  Fe12  1  0.019055  0.620357  0.313909  1
  Fe  Fe13  1  0.975116  0.032596  0.353369  1
  Fe  Fe14  1  0.475116  0.032596  0.353369  1
  Fe  Fe15  1  0.406403  0.395117  0.340626  1
  Fe  Fe16  1  0.839107  0.760491  0.325654  1
  Fe  Fe17  1  0.906403  0.395117  0.340626  1
  Fe  Fe18  1  0.339107  0.760491  0.325654  1
  Fe  Fe19  1  0.656403  0.895117  0.340626  1
  Fe  Fe20  1  0.156403  0.895117  0.340626  1
  Fe  Fe21  1  0.089107  0.260491  0.325654  1
  Fe  Fe22  1  0.225116  0.532596  0.353369  1
  Fe  Fe23  1  0.589107  0.260491  0.325654  1
  Fe  Fe24  1  0.725116  0.532596  0.353369  1
  Fe  Fe25  1  0.679193  0.940879  0.393632  1
  Fe  Fe26  1  0.179193  0.940879  0.393632  1
  Fe  Fe27  1  0.111014  0.304483  0.379771  1
  Fe  Fe28  1  0.542833  0.668071  0.366798  1
  Fe  Fe29  1  0.611014  0.304483  0.379771  1
  Fe  Fe30  1  0.042833  0.668071  0.366798  1
  Fe  Fe31  1  0.361014  0.804483  0.379771  1
  Fe  Fe32  1  0.861014  0.804483  0.379771  1
  Fe  Fe33  1  0.792833  0.168071  0.366798  1
  Fe  Fe34  1  0.929193  0.440879  0.393632  1
  Fe  Fe35  1  0.292833  0.168071  0.366798  1
  Fe  Fe36  1  0.429193  0.440879  0.393632  1
  Fe  Fe37  1  0.383583  0.849792  0.433396  1
  Fe  Fe38  1  0.883583  0.849792  0.433396  1
  Fe  Fe39  1  0.815427  0.213436  0.420153  1
  Fe  Fe40  1  0.247428  0.577394  0.406776  1
  Fe  Fe41  1  0.315427  0.213436  0.420153  1
  Fe  Fe42  1  0.747428  0.577394  0.406776  1
  Fe  Fe43  1  0.065427  0.713436  0.420153  1
  Fe  Fe44  1  0.565427  0.713436  0.420153  1
  Fe  Fe45  1  0.497428  0.077394  0.406776  1
  Fe  Fe46  1  0.633583  0.349792  0.433396  1
  Fe  Fe47  1  0.997428  0.077394  0.406776  1
  Fe  Fe48  1  0.133583  0.349792  0.433396  1
  Fe  Fe49  1  0.087982  0.758720  0.473547  1
  Fe  Fe50  1  0.587982  0.758720  0.473547  1
  Fe  Fe51  1  0.519891  0.122495  0.460194  1
  Fe  Fe52  1  0.951726  0.486121  0.446902  1
  Fe  Fe53  1  0.019891  0.122495  0.460194  1
  Fe  Fe54  1  0.451726  0.486121  0.446902  1
  Fe  Fe55  1  0.769891  0.622495  0.460194  1
  Fe  Fe56  1  0.269891  0.622495  0.460194  1
  Fe  Fe57  1  0.201726  0.986121  0.446902  1
  Fe  Fe58  1  0.337982  0.258720  0.473547  1
  Fe  Fe59  1  0.701726  0.986121  0.446902  1
  Fe  Fe60  1  0.837982  0.258720  0.473547  1
  Fe  Fe61  1  0.792397  0.667682  0.513625  1
  Fe  Fe62  1  0.292397  0.667682  0.513625  1
  Fe  Fe63  1  0.224254  0.031352  0.500248  1
  Fe  Fe64  1  0.656111  0.395023  0.486872  1
  Fe  Fe65  1  0.724254  0.031352  0.500248  1
  Fe  Fe66  1  0.156111  0.395023  0.486872  1
  Fe  Fe67  1  0.474254  0.531352  0.500248  1
  Fe  Fe68  1  0.974254  0.531352  0.500248  1
  Fe  Fe69  1  0.906111  0.895023  0.486872  1
  Fe  Fe70  1  0.042397  0.167682  0.513625  1
  Fe  Fe71  1  0.406111  0.895023  0.486872  1
  Fe  Fe72  1  0.542397  0.167682  0.513625  1
  Fe  Fe73  1  0.496782  0.576583  0.553595  1
  Fe  Fe74  1  0.996782  0.576583  0.553595  1
  Fe  Fe75  1  0.928617  0.940209  0.540303  1
  Fe  Fe76  1  0.360526  0.303984  0.526949  1
  Fe  Fe77  1  0.428617  0.940209  0.540303  1
  Fe  Fe78  1  0.860526  0.303984  0.526949  1
  Fe  Fe79  1  0.178617  0.440209  0.540303  1
  Fe  Fe80  1  0.678617  0.440209  0.540303  1
  Fe  Fe81  1  0.610526  0.803984  0.526949  1
  Fe  Fe82  1  0.746782  0.076583  0.553595  1
  Fe  Fe83  1  0.110526  0.803984  0.526949  1
  Fe  Fe84  1  0.246782  0.076583  0.553595  1
  Fe  Fe85  1  0.201080  0.485311  0.593720  1
  Fe  Fe86  1  0.701080  0.485311  0.593720  1
  Fe  Fe87  1  0.633081  0.849268  0.580344  1
  Fe  Fe88  1  0.064926  0.212913  0.567101  1
  Fe  Fe89  1  0.133081  0.849268  0.580344  1
  Fe  Fe90  1  0.564926  0.212913  0.567101  1
  Fe  Fe91  1  0.883081  0.349268  0.580344  1
  Fe  Fe92  1  0.383081  0.349268  0.580344  1
  Fe  Fe93  1  0.314926  0.712913  0.567101  1
  Fe  Fe94  1  0.451080  0.985311  0.593720  1
  Fe  Fe95  1  0.814926  0.712913  0.567101  1
  Fe  Fe96  1  0.951080  0.985311  0.593720  1
  Fe  Fe97  1  0.905676  0.394634  0.633699  1
  Fe  Fe98  1  0.405676  0.394634  0.633699  1
  Fe  Fe99  1  0.337494  0.758222  0.620725  1
  Fe  Fe100  1  0.769315  0.121826  0.606865  1
  Fe  Fe101  1  0.837494  0.758222  0.620725  1
  Fe  Fe102  1  0.269315  0.121826  0.606865  1
  Fe  Fe103  1  0.587494  0.258222  0.620725  1
  Fe  Fe104  1  0.087494  0.258222  0.620725  1
  Fe  Fe105  1  0.019315  0.621826  0.606865  1
  Fe  Fe106  1  0.155676  0.894634  0.633699  1
  Fe  Fe107  1  0.519315  0.621826  0.606865  1
  Fe  Fe108  1  0.655676  0.894634  0.633699  1
  Fe  Fe109  1  0.609401  0.302214  0.674842  1
  Fe  Fe110  1  0.109401  0.302214  0.674842  1
  Fe  Fe111  1  0.042106  0.667588  0.659871  1
  Fe  Fe112  1  0.473392  0.030108  0.647128  1
  Fe  Fe113  1  0.542106  0.667588  0.659871  1
  Fe  Fe114  1  0.973392  0.030108  0.647128  1
  Fe  Fe115  1  0.292106  0.167588  0.659871  1
  Fe  Fe116  1  0.792106  0.167588  0.659871  1
  Fe  Fe117  1  0.723392  0.530108  0.647128  1
  Fe  Fe118  1  0.859401  0.802214  0.674842  1
  Fe  Fe119  1  0.223392  0.530108  0.647128  1
  Fe  Fe120  1  0.359401  0.802214  0.674842  1
  Fe  Fe121  1  0.315032  0.213749  0.712422  1
  Fe  Fe122  1  0.815032  0.213749  0.712422  1
  Fe  Fe123  1  0.743783  0.571097  0.700496  1
  Fe  Fe124  1  0.179453  0.942348  0.686587  1
  Fe  Fe125  1  0.243783  0.571097  0.700496  1
  Fe  Fe126  1  0.679453  0.942348  0.686587  1
  Fe  Fe127  1  0.993783  0.071097  0.700496  1
  Fe  Fe128  1  0.493783  0.071097  0.700496  1
  Fe  Fe129  1  0.429453  0.442348  0.686587  1
  Fe  Fe130  1  0.565032  0.713749  0.712422  1
  Fe  Fe131  1  0.929453  0.442348  0.686587  1
  Fe  Fe132  1  0.065032  0.713749  0.712422  1
