# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.89480725
_cell_length_b   10.92891802
_cell_length_c   45.70021524
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe264
_cell_volume   6440.36184519
_cell_formula_units_Z   264
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  0.052208  0.785293  0.282100  1
  Fe  Fe2  1  0.218343  0.713282  0.303220  1
  Fe  Fe3  1  0.048880  0.212342  0.303894  1
  Fe  Fe4  1  0.385541  0.785293  0.282100  1
  Fe  Fe5  1  0.551676  0.713282  0.303220  1
  Fe  Fe6  1  0.215600  0.279315  0.282466  1
  Fe  Fe7  1  0.382214  0.212342  0.303894  1
  Fe  Fe8  1  0.718875  0.785293  0.282100  1
  Fe  Fe9  1  0.885010  0.713282  0.303220  1
  Fe  Fe10  1  0.548933  0.279315  0.282466  1
  Fe  Fe11  1  0.715547  0.212342  0.303894  1
  Fe  Fe12  1  0.882267  0.279315  0.282466  1
  Fe  Fe13  1  0.107813  0.424674  0.313037  1
  Fe  Fe14  1  0.276416  0.500757  0.291925  1
  Fe  Fe15  1  0.111890  0.005395  0.291860  1
  Fe  Fe16  1  0.441146  0.424674  0.313037  1
  Fe  Fe17  1  0.609749  0.500757  0.291925  1
  Fe  Fe18  1  0.276083  0.926755  0.312907  1
  Fe  Fe19  1  0.445224  0.005395  0.291860  1
  Fe  Fe20  1  0.774479  0.424674  0.313037  1
  Fe  Fe21  1  0.943083  0.500757  0.291925  1
  Fe  Fe22  1  0.609416  0.926755  0.312907  1
  Fe  Fe23  1  0.778557  0.005395  0.291860  1
  Fe  Fe24  1  0.942750  0.926755  0.312907  1
  Fe  Fe25  1  0.053647  0.636309  0.323745  1
  Fe  Fe26  1  0.220892  0.560129  0.343780  1
  Fe  Fe27  1  0.053592  0.059656  0.344146  1
  Fe  Fe28  1  0.386980  0.636309  0.323745  1
  Fe  Fe29  1  0.554225  0.560129  0.343780  1
  Fe  Fe30  1  0.218921  0.135991  0.324579  1
  Fe  Fe31  1  0.386926  0.059656  0.344146  1
  Fe  Fe32  1  0.720314  0.636309  0.323745  1
  Fe  Fe33  1  0.887558  0.560129  0.343780  1
  Fe  Fe34  1  0.552254  0.135991  0.324579  1
  Fe  Fe35  1  0.720259  0.059656  0.344146  1
  Fe  Fe36  1  0.885588  0.135991  0.324579  1
  Fe  Fe37  1  0.107653  0.272702  0.353740  1
  Fe  Fe38  1  0.273099  0.349140  0.333735  1
  Fe  Fe39  1  0.108023  0.849841  0.333430  1
  Fe  Fe40  1  0.440986  0.272702  0.353740  1
  Fe  Fe41  1  0.606432  0.349140  0.333735  1
  Fe  Fe42  1  0.275484  0.772814  0.353391  1
  Fe  Fe43  1  0.441356  0.849841  0.333430  1
  Fe  Fe44  1  0.774320  0.272702  0.353740  1
  Fe  Fe45  1  0.939766  0.349140  0.333735  1
  Fe  Fe46  1  0.608818  0.772814  0.353391  1
  Fe  Fe47  1  0.774689  0.849841  0.333430  1
  Fe  Fe48  1  0.942151  0.772814  0.353391  1
  Fe  Fe49  1  0.053722  0.483798  0.363581  1
  Fe  Fe50  1  0.220080  0.407896  0.383735  1
  Fe  Fe51  1  0.053437  0.907322  0.383744  1
  Fe  Fe52  1  0.387056  0.483798  0.363581  1
  Fe  Fe53  1  0.553413  0.407896  0.383735  1
  Fe  Fe54  1  0.220190  0.983124  0.363793  1
  Fe  Fe55  1  0.386770  0.907322  0.383744  1
  Fe  Fe56  1  0.720389  0.483798  0.363581  1
  Fe  Fe57  1  0.886746  0.407896  0.383735  1
  Fe  Fe58  1  0.553524  0.983124  0.363793  1
  Fe  Fe59  1  0.720103  0.907322  0.383744  1
  Fe  Fe60  1  0.886857  0.983124  0.363793  1
  Fe  Fe61  1  0.109609  0.119898  0.393655  1
  Fe  Fe62  1  0.275595  0.196286  0.373825  1
  Fe  Fe63  1  0.109385  0.696376  0.373504  1
  Fe  Fe64  1  0.442942  0.119898  0.393655  1
  Fe  Fe65  1  0.608928  0.196286  0.373825  1
  Fe  Fe66  1  0.276387  0.620139  0.393514  1
  Fe  Fe67  1  0.442719  0.696376  0.373504  1
  Fe  Fe68  1  0.776276  0.119898  0.393655  1
  Fe  Fe69  1  0.942262  0.196286  0.373825  1
  Fe  Fe70  1  0.609720  0.620139  0.393514  1
  Fe  Fe71  1  0.776052  0.696376  0.373504  1
  Fe  Fe72  1  0.943054  0.620139  0.393514  1
  Fe  Fe73  1  0.053411  0.331859  0.403684  1
  Fe  Fe74  1  0.220102  0.255620  0.423647  1
  Fe  Fe75  1  0.053572  0.755443  0.423579  1
  Fe  Fe76  1  0.386744  0.331859  0.403684  1
  Fe  Fe77  1  0.553435  0.255620  0.423647  1
  Fe  Fe78  1  0.220175  0.831383  0.403626  1
  Fe  Fe79  1  0.386906  0.755443  0.423579  1
  Fe  Fe80  1  0.720078  0.331859  0.403684  1
  Fe  Fe81  1  0.886768  0.255620  0.423647  1
  Fe  Fe82  1  0.553509  0.831383  0.403626  1
  Fe  Fe83  1  0.720239  0.755443  0.423579  1
  Fe  Fe84  1  0.886842  0.831383  0.403626  1
  Fe  Fe85  1  0.109836  0.967515  0.433523  1
  Fe  Fe86  1  0.276411  0.043599  0.413575  1
  Fe  Fe87  1  0.109689  0.543970  0.413491  1
  Fe  Fe88  1  0.443169  0.967515  0.433523  1
  Fe  Fe89  1  0.609744  0.043599  0.413575  1
  Fe  Fe90  1  0.276391  0.467823  0.433509  1
  Fe  Fe91  1  0.443022  0.543970  0.413491  1
  Fe  Fe92  1  0.776502  0.967515  0.433523  1
  Fe  Fe93  1  0.943077  0.043599  0.413575  1
  Fe  Fe94  1  0.609724  0.467823  0.433509  1
  Fe  Fe95  1  0.776355  0.543970  0.413491  1
  Fe  Fe96  1  0.943057  0.467823  0.433509  1
  Fe  Fe97  1  0.053504  0.179421  0.443529  1
  Fe  Fe98  1  0.220254  0.103263  0.463469  1
  Fe  Fe99  1  0.053649  0.603346  0.463450  1
  Fe  Fe100  1  0.386838  0.179421  0.443529  1
  Fe  Fe101  1  0.553587  0.103263  0.463469  1
  Fe  Fe102  1  0.220270  0.679411  0.443505  1
  Fe  Fe103  1  0.386982  0.603346  0.463450  1
  Fe  Fe104  1  0.720171  0.179421  0.443529  1
  Fe  Fe105  1  0.886920  0.103263  0.463469  1
  Fe  Fe106  1  0.553604  0.679411  0.443505  1
  Fe  Fe107  1  0.720315  0.603346  0.463450  1
  Fe  Fe108  1  0.886937  0.679411  0.443505  1
  Fe  Fe109  1  0.109908  0.815308  0.473410  1
  Fe  Fe110  1  0.276541  0.891400  0.453462  1
  Fe  Fe111  1  0.109784  0.391641  0.453460  1
  Fe  Fe112  1  0.443241  0.815308  0.473410  1
  Fe  Fe113  1  0.609874  0.891400  0.453462  1
  Fe  Fe114  1  0.276527  0.315431  0.473411  1
  Fe  Fe115  1  0.443117  0.391641  0.453460  1
  Fe  Fe116  1  0.776575  0.815308  0.473410  1
  Fe  Fe117  1  0.943207  0.891400  0.453462  1
  Fe  Fe118  1  0.609860  0.315431  0.473411  1
  Fe  Fe119  1  0.776450  0.391641  0.453460  1
  Fe  Fe120  1  0.943194  0.315431  0.473411  1
  Fe  Fe121  1  0.053636  0.027171  0.483405  1
  Fe  Fe122  1  0.220346  0.951039  0.503354  1
  Fe  Fe123  1  0.053665  0.451132  0.503345  1
  Fe  Fe124  1  0.386969  0.027171  0.483405  1
  Fe  Fe125  1  0.553679  0.951039  0.503354  1
  Fe  Fe126  1  0.220327  0.527249  0.483403  1
  Fe  Fe127  1  0.386998  0.451132  0.503345  1
  Fe  Fe128  1  0.720302  0.027171  0.483405  1
  Fe  Fe129  1  0.887012  0.951039  0.503354  1
  Fe  Fe130  1  0.553660  0.527249  0.483403  1
  Fe  Fe131  1  0.720331  0.451132  0.503345  1
  Fe  Fe132  1  0.886994  0.527249  0.483403  1
  Fe  Fe133  1  0.109922  0.663066  0.513292  1
  Fe  Fe134  1  0.276584  0.739183  0.493349  1
  Fe  Fe135  1  0.109903  0.239276  0.493341  1
  Fe  Fe136  1  0.443255  0.663066  0.513292  1
  Fe  Fe137  1  0.609917  0.739183  0.493349  1
  Fe  Fe138  1  0.276613  0.163145  0.513289  1
  Fe  Fe139  1  0.443236  0.239276  0.493341  1
  Fe  Fe140  1  0.776588  0.663066  0.513292  1
  Fe  Fe141  1  0.943251  0.739183  0.493349  1
  Fe  Fe142  1  0.609946  0.163145  0.513289  1
  Fe  Fe143  1  0.776570  0.239276  0.493341  1
  Fe  Fe144  1  0.943280  0.163145  0.513289  1
  Fe  Fe145  1  0.053722  0.874884  0.523284  1
  Fe  Fe146  1  0.220465  0.798674  0.543235  1
  Fe  Fe147  1  0.053708  0.298916  0.543232  1
  Fe  Fe148  1  0.387055  0.874884  0.523284  1
  Fe  Fe149  1  0.553798  0.798674  0.543235  1
  Fe  Fe150  1  0.220341  0.375007  0.523284  1
  Fe  Fe151  1  0.387041  0.298916  0.543232  1
  Fe  Fe152  1  0.720388  0.874884  0.523284  1
  Fe  Fe153  1  0.887132  0.798674  0.543235  1
  Fe  Fe154  1  0.553674  0.375007  0.523284  1
  Fe  Fe155  1  0.720375  0.298916  0.543232  1
  Fe  Fe156  1  0.887007  0.375007  0.523284  1
  Fe  Fe157  1  0.109978  0.510904  0.553190  1
  Fe  Fe158  1  0.276600  0.586969  0.533245  1
  Fe  Fe159  1  0.109995  0.087052  0.533226  1
  Fe  Fe160  1  0.443312  0.510904  0.553190  1
  Fe  Fe161  1  0.609933  0.586969  0.533245  1
  Fe  Fe162  1  0.276745  0.010895  0.553165  1
  Fe  Fe163  1  0.443328  0.087052  0.533226  1
  Fe  Fe164  1  0.776645  0.510904  0.553190  1
  Fe  Fe165  1  0.943267  0.586969  0.533245  1
  Fe  Fe166  1  0.610078  0.010895  0.553165  1
  Fe  Fe167  1  0.776662  0.087052  0.533226  1
  Fe  Fe168  1  0.943411  0.010895  0.553165  1
  Fe  Fe169  1  0.053858  0.722492  0.563185  1
  Fe  Fe170  1  0.220560  0.646345  0.583203  1
  Fe  Fe171  1  0.053838  0.146716  0.583120  1
  Fe  Fe172  1  0.387191  0.722492  0.563185  1
  Fe  Fe173  1  0.553893  0.646345  0.583203  1
  Fe  Fe174  1  0.220413  0.222801  0.563172  1
  Fe  Fe175  1  0.387172  0.146716  0.583120  1
  Fe  Fe176  1  0.720525  0.722492  0.563185  1
  Fe  Fe177  1  0.887227  0.646345  0.583203  1
  Fe  Fe178  1  0.553746  0.222801  0.563172  1
  Fe  Fe179  1  0.720505  0.146716  0.583120  1
  Fe  Fe180  1  0.887080  0.222801  0.563172  1
  Fe  Fe181  1  0.110073  0.358932  0.593069  1
  Fe  Fe182  1  0.276676  0.434873  0.573116  1
  Fe  Fe183  1  0.110147  0.934695  0.573048  1
  Fe  Fe184  1  0.443407  0.358932  0.593069  1
  Fe  Fe185  1  0.610010  0.434873  0.573116  1
  Fe  Fe186  1  0.276838  0.858457  0.593010  1
  Fe  Fe187  1  0.443480  0.934695  0.573048  1
  Fe  Fe188  1  0.776740  0.358932  0.593069  1
  Fe  Fe189  1  0.943343  0.434873  0.573116  1
  Fe  Fe190  1  0.610171  0.858457  0.593010  1
  Fe  Fe191  1  0.776814  0.934695  0.573048  1
  Fe  Fe192  1  0.943505  0.858457  0.593010  1
  Fe  Fe193  1  0.053862  0.570176  0.603181  1
  Fe  Fe194  1  0.220863  0.493939  0.623191  1
  Fe  Fe195  1  0.054654  0.994029  0.622870  1
  Fe  Fe196  1  0.387195  0.570176  0.603181  1
  Fe  Fe197  1  0.554197  0.493939  0.623191  1
  Fe  Fe198  1  0.220640  0.070417  0.603040  1
  Fe  Fe199  1  0.387987  0.994029  0.622870  1
  Fe  Fe200  1  0.720528  0.570176  0.603181  1
  Fe  Fe201  1  0.887530  0.493939  0.623191  1
  Fe  Fe202  1  0.553973  0.070417  0.603040  1
  Fe  Fe203  1  0.721321  0.994029  0.622870  1
  Fe  Fe204  1  0.887306  0.070417  0.603040  1
  Fe  Fe205  1  0.110058  0.207192  0.632902  1
  Fe  Fe206  1  0.276812  0.282993  0.612950  1
  Fe  Fe207  1  0.110169  0.782419  0.612959  1
  Fe  Fe208  1  0.443392  0.207192  0.632902  1
  Fe  Fe209  1  0.610145  0.282993  0.612950  1
  Fe  Fe210  1  0.276526  0.706518  0.633114  1
  Fe  Fe211  1  0.443502  0.782419  0.612959  1
  Fe  Fe212  1  0.776725  0.207192  0.632902  1
  Fe  Fe213  1  0.943479  0.282993  0.612950  1
  Fe  Fe214  1  0.609860  0.706518  0.633114  1
  Fe  Fe215  1  0.776836  0.782419  0.612959  1
  Fe  Fe216  1  0.943193  0.706518  0.633114  1
  Fe  Fe217  1  0.054764  0.417502  0.643303  1
  Fe  Fe218  1  0.222226  0.340474  0.663264  1
  Fe  Fe219  1  0.057150  0.841176  0.662960  1
  Fe  Fe220  1  0.388098  0.417502  0.643303  1
  Fe  Fe221  1  0.555559  0.340474  0.663264  1
  Fe  Fe222  1  0.222596  0.917614  0.642954  1
  Fe  Fe223  1  0.390483  0.841176  0.662960  1
  Fe  Fe224  1  0.721431  0.417502  0.643303  1
  Fe  Fe225  1  0.888893  0.340474  0.663264  1
  Fe  Fe226  1  0.555929  0.917614  0.642954  1
  Fe  Fe227  1  0.723817  0.841176  0.662960  1
  Fe  Fe228  1  0.889262  0.917614  0.642954  1
  Fe  Fe229  1  0.111328  0.054324  0.672115  1
  Fe  Fe230  1  0.276657  0.130660  0.652548  1
  Fe  Fe231  1  0.109357  0.630187  0.652915  1
  Fe  Fe232  1  0.444661  0.054324  0.672115  1
  Fe  Fe233  1  0.609990  0.130660  0.652548  1
  Fe  Fe234  1  0.276602  0.554006  0.672949  1
  Fe  Fe235  1  0.442691  0.630187  0.652915  1
  Fe  Fe236  1  0.777995  0.054324  0.672115  1
  Fe  Fe237  1  0.943323  0.130660  0.652548  1
  Fe  Fe238  1  0.609935  0.554006  0.672949  1
  Fe  Fe239  1  0.776024  0.630187  0.652915  1
  Fe  Fe240  1  0.943268  0.554006  0.672949  1
  Fe  Fe241  1  0.054166  0.263561  0.683787  1
  Fe  Fe242  1  0.218358  0.184920  0.704834  1
  Fe  Fe243  1  0.053833  0.689558  0.704770  1
  Fe  Fe244  1  0.387499  0.263561  0.683787  1
  Fe  Fe245  1  0.551692  0.184920  0.704834  1
  Fe  Fe246  1  0.222436  0.765641  0.683658  1
  Fe  Fe247  1  0.387166  0.689558  0.704770  1
  Fe  Fe248  1  0.720832  0.263561  0.683787  1
  Fe  Fe249  1  0.885025  0.184920  0.704834  1
  Fe  Fe250  1  0.555769  0.765641  0.683658  1
  Fe  Fe251  1  0.720500  0.689558  0.704770  1
  Fe  Fe252  1  0.889103  0.765641  0.683658  1
  Fe  Fe253  1  0.114649  0.911000  0.714229  1
  Fe  Fe254  1  0.281368  0.977974  0.692800  1
  Fe  Fe255  1  0.111906  0.477034  0.693474  1
  Fe  Fe256  1  0.447982  0.911000  0.714229  1
  Fe  Fe257  1  0.614702  0.977974  0.692800  1
  Fe  Fe258  1  0.278041  0.405023  0.714594  1
  Fe  Fe259  1  0.445239  0.477034  0.693474  1
  Fe  Fe260  1  0.781315  0.911000  0.714229  1
  Fe  Fe261  1  0.948035  0.977974  0.692800  1
  Fe  Fe262  1  0.611374  0.405023  0.714594  1
  Fe  Fe263  1  0.778572  0.477034  0.693474  1
  Fe  Fe264  1  0.944707  0.405023  0.714594  1
