# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.10910275
_cell_length_b   10.27557988
_cell_length_c   45.70930556
_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   3503.55091315
_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  0.315133  0.215816  0.317111  1
  Fe  Fe2  1  0.814965  0.215823  0.317119  1
  Fe  Fe3  1  0.760308  0.606461  0.290788  1
  Fe  Fe4  1  0.194007  0.974299  0.289988  1
  Fe  Fe5  1  0.259838  0.605558  0.290652  1
  Fe  Fe6  1  0.694375  0.974273  0.289984  1
  Fe  Fe7  1  0.019881  0.126344  0.290832  1
  Fe  Fe8  1  0.520360  0.127114  0.290853  1
  Fe  Fe9  1  0.434843  0.453851  0.290812  1
  Fe  Fe10  1  0.564636  0.714869  0.315504  1
  Fe  Fe11  1  0.933736  0.453810  0.290822  1
  Fe  Fe12  1  0.064587  0.714878  0.315508  1
  Fe  Fe13  1  0.012599  0.111335  0.344020  1
  Fe  Fe14  1  0.512646  0.111407  0.344057  1
  Fe  Fe15  1  0.442270  0.469753  0.343963  1
  Fe  Fe16  1  0.889833  0.865739  0.316324  1
  Fe  Fe17  1  0.941955  0.469768  0.343974  1
  Fe  Fe18  1  0.389793  0.865660  0.315740  1
  Fe  Fe19  1  0.691600  0.968391  0.342859  1
  Fe  Fe20  1  0.191192  0.968399  0.342864  1
  Fe  Fe21  1  0.139709  0.365458  0.317828  1
  Fe  Fe22  1  0.263223  0.612504  0.343735  1
  Fe  Fe23  1  0.639896  0.365845  0.318065  1
  Fe  Fe24  1  0.763487  0.613039  0.343891  1
  Fe  Fe25  1  0.693121  0.967977  0.395993  1
  Fe  Fe26  1  0.189443  0.968089  0.396001  1
  Fe  Fe27  1  0.137884  0.361821  0.371352  1
  Fe  Fe28  1  0.566695  0.719579  0.369207  1
  Fe  Fe29  1  0.638011  0.362073  0.371670  1
  Fe  Fe30  1  0.067376  0.719613  0.369210  1
  Fe  Fe31  1  0.387784  0.861611  0.369810  1
  Fe  Fe32  1  0.887470  0.860995  0.371054  1
  Fe  Fe33  1  0.817086  0.220083  0.370298  1
  Fe  Fe34  1  0.941193  0.470221  0.397597  1
  Fe  Fe35  1  0.317449  0.220073  0.370291  1
  Fe  Fe36  1  0.443572  0.470154  0.397580  1
  Fe  Fe37  1  0.391121  0.868383  0.424018  1
  Fe  Fe38  1  0.888696  0.862608  0.428430  1
  Fe  Fe39  1  0.818427  0.219634  0.423248  1
  Fe  Fe40  1  0.263014  0.611769  0.397754  1
  Fe  Fe41  1  0.315682  0.219646  0.423240  1
  Fe  Fe42  1  0.764052  0.614138  0.397829  1
  Fe  Fe43  1  0.073106  0.717000  0.422409  1
  Fe  Fe44  1  0.558386  0.717040  0.422420  1
  Fe  Fe45  1  0.513027  0.111953  0.398143  1
  Fe  Fe46  1  0.637665  0.361303  0.426606  1
  Fe  Fe47  1  0.013098  0.112278  0.397973  1
  Fe  Fe48  1  0.141043  0.368126  0.425667  1
  Fe  Fe49  1  0.046714  0.757628  0.473584  1
  Fe  Fe50  1  0.625006  0.757541  0.473627  1
  Fe  Fe51  1  0.515272  0.116483  0.456118  1
  Fe  Fe52  1  0.940841  0.468171  0.451274  1
  Fe  Fe53  1  0.021461  0.128758  0.453904  1
  Fe  Fe54  1  0.442118  0.468332  0.451236  1
  Fe  Fe55  1  0.763098  0.611740  0.451359  1
  Fe  Fe56  1  0.265969  0.617845  0.454023  1
  Fe  Fe57  1  0.194311  0.980373  0.448562  1
  Fe  Fe58  1  0.321360  0.230626  0.476432  1
  Fe  Fe59  1  0.700534  0.980360  0.448540  1
  Fe  Fe60  1  0.823422  0.230558  0.476449  1
  Fe  Fe61  1  0.775939  0.637130  0.511527  1
  Fe  Fe62  1  0.313740  0.713561  0.523082  1
  Fe  Fe63  1  0.260065  0.008734  0.500343  1
  Fe  Fe64  1  0.661999  0.410144  0.486557  1
  Fe  Fe65  1  0.662710  0.008691  0.500313  1
  Fe  Fe66  1  0.145925  0.377394  0.484082  1
  Fe  Fe67  1  0.436218  0.555404  0.500143  1
  Fe  Fe68  1  0.033573  0.555447  0.500173  1
  Fe  Fe69  1  0.920344  0.927008  0.488959  1
  Fe  Fe70  1  0.034284  0.153994  0.513930  1
  Fe  Fe71  1  0.382543  0.850577  0.477405  1
  Fe  Fe72  1  0.550358  0.186744  0.516405  1
  Fe  Fe73  1  0.501972  0.583765  0.551925  1
  Fe  Fe74  1  0.995749  0.583778  0.551946  1
  Fe  Fe75  1  0.933185  0.952398  0.549128  1
  Fe  Fe76  1  0.374923  0.333512  0.524055  1
  Fe  Fe77  1  0.430314  0.946293  0.546464  1
  Fe  Fe78  1  0.872861  0.333580  0.524037  1
  Fe  Fe79  1  0.181011  0.447655  0.544369  1
  Fe  Fe80  1  0.674821  0.435380  0.546582  1
  Fe  Fe81  1  0.649569  0.806510  0.526902  1
  Fe  Fe82  1  0.755442  0.095967  0.549212  1
  Fe  Fe83  1  0.071277  0.806597  0.526859  1
  Fe  Fe84  1  0.254165  0.095806  0.549250  1
  Fe  Fe85  1  0.183256  0.452185  0.602343  1
  Fe  Fe86  1  0.683185  0.451860  0.602513  1
  Fe  Fe87  1  0.623176  0.847138  0.578077  1
  Fe  Fe88  1  0.058618  0.202835  0.573880  1
  Fe  Fe89  1  0.137897  0.847098  0.578067  1
  Fe  Fe90  1  0.555240  0.196012  0.574819  1
  Fe  Fe91  1  0.877856  0.344504  0.577238  1
  Fe  Fe92  1  0.380601  0.344491  0.577246  1
  Fe  Fe93  1  0.305162  0.695755  0.576468  1
  Fe  Fe94  1  0.433269  0.952368  0.602732  1
  Fe  Fe95  1  0.807587  0.701530  0.572056  1
  Fe  Fe96  1  0.932231  0.950000  0.602657  1
  Fe  Fe97  1  0.879197  0.344055  0.630188  1
  Fe  Fe98  1  0.378834  0.344065  0.630195  1
  Fe  Fe99  1  0.308499  0.702527  0.630677  1
  Fe  Fe100  1  0.755090  0.093917  0.602889  1
  Fe  Fe101  1  0.808813  0.703143  0.629433  1
  Fe  Fe102  1  0.252710  0.093984  0.602906  1
  Fe  Fe103  1  0.558399  0.202317  0.629134  1
  Fe  Fe104  1  0.058272  0.202065  0.628816  1
  Fe  Fe105  1  0.003162  0.596161  0.604493  1
  Fe  Fe106  1  0.129588  0.844559  0.631279  1
  Fe  Fe107  1  0.506840  0.596049  0.604485  1
  Fe  Fe108  1  0.628907  0.844525  0.631276  1
  Fe  Fe109  1  0.556574  0.198680  0.682659  1
  Fe  Fe110  1  0.056387  0.198293  0.682421  1
  Fe  Fe111  1  0.004683  0.595747  0.657627  1
  Fe  Fe112  1  0.433060  0.951634  0.656752  1
  Fe  Fe113  1  0.505091  0.595739  0.657623  1
  Fe  Fe114  1  0.932796  0.951099  0.656595  1
  Fe  Fe115  1  0.254013  0.094385  0.656524  1
  Fe  Fe116  1  0.754328  0.094370  0.656512  1
  Fe  Fe117  1  0.683684  0.452803  0.656467  1
  Fe  Fe118  1  0.806450  0.698399  0.684162  1
  Fe  Fe119  1  0.183637  0.452731  0.656430  1
  Fe  Fe120  1  0.306489  0.698478  0.684746  1
  Fe  Fe121  1  0.261440  0.110287  0.709674  1
  Fe  Fe122  1  0.762547  0.110328  0.709664  1
  Fe  Fe123  1  0.676402  0.437794  0.709654  1
  Fe  Fe124  1  0.131647  0.849269  0.684982  1
  Fe  Fe125  1  0.175923  0.437024  0.709633  1
  Fe  Fe126  1  0.631696  0.849260  0.684979  1
  Fe  Fe127  1  0.935975  0.957677  0.709698  1
  Fe  Fe128  1  0.436444  0.958580  0.709834  1
  Fe  Fe129  1  0.381150  0.348322  0.683375  1
  Fe  Fe130  1  0.502276  0.589839  0.710499  1
  Fe  Fe131  1  0.881318  0.348315  0.683367  1
  Fe  Fe132  1  0.001908  0.589865  0.710503  1
