# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.48313667
_cell_length_b   11.51550721
_cell_length_c   47.91263235
_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   7439.16240931
_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  0.057740  0.791579  0.286507  1
  Fe  Fe2  1  0.224323  0.713323  0.304799  1
  Fe  Fe3  1  0.057656  0.213323  0.304799  1
  Fe  Fe4  1  0.391073  0.791579  0.286507  1
  Fe  Fe5  1  0.557656  0.713323  0.304799  1
  Fe  Fe6  1  0.224407  0.291579  0.286507  1
  Fe  Fe7  1  0.390989  0.213323  0.304799  1
  Fe  Fe8  1  0.724407  0.791579  0.286507  1
  Fe  Fe9  1  0.890989  0.713323  0.304799  1
  Fe  Fe10  1  0.557740  0.291579  0.286507  1
  Fe  Fe11  1  0.724323  0.213323  0.304799  1
  Fe  Fe12  1  0.891073  0.291579  0.286507  1
  Fe  Fe13  1  0.111728  0.424941  0.314674  1
  Fe  Fe14  1  0.278046  0.500919  0.295845  1
  Fe  Fe15  1  0.111380  1.000919  0.295845  1
  Fe  Fe16  1  0.445062  0.424941  0.314674  1
  Fe  Fe17  1  0.611380  0.500919  0.295845  1
  Fe  Fe18  1  0.278395  0.924941  0.314674  1
  Fe  Fe19  1  0.444713  1.000919  0.295845  1
  Fe  Fe20  1  0.778395  0.424941  0.314674  1
  Fe  Fe21  1  0.944713  0.500919  0.295845  1
  Fe  Fe22  1  0.611728  0.924941  0.314674  1
  Fe  Fe23  1  0.778046  1.000919  0.295845  1
  Fe  Fe24  1  0.945062  0.924941  0.314674  1
  Fe  Fe25  1  0.057381  0.636562  0.324490  1
  Fe  Fe26  1  0.223583  0.560862  0.344679  1
  Fe  Fe27  1  0.056916  0.060862  0.344679  1
  Fe  Fe28  1  0.390715  0.636562  0.324490  1
  Fe  Fe29  1  0.556916  0.560862  0.344679  1
  Fe  Fe30  1  0.224048  0.136562  0.324490  1
  Fe  Fe31  1  0.390249  0.060862  0.344679  1
  Fe  Fe32  1  0.724048  0.636562  0.324490  1
  Fe  Fe33  1  0.890249  0.560862  0.344679  1
  Fe  Fe34  1  0.557381  0.136562  0.324490  1
  Fe  Fe35  1  0.723583  0.060862  0.344679  1
  Fe  Fe36  1  0.890715  0.136562  0.324490  1
  Fe  Fe37  1  0.112814  0.272382  0.354515  1
  Fe  Fe38  1  0.279366  0.348698  0.334902  1
  Fe  Fe39  1  0.112700  0.848698  0.334902  1
  Fe  Fe40  1  0.446147  0.272382  0.354515  1
  Fe  Fe41  1  0.612700  0.348698  0.334902  1
  Fe  Fe42  1  0.279480  0.772382  0.354515  1
  Fe  Fe43  1  0.446033  0.848698  0.334902  1
  Fe  Fe44  1  0.779480  0.272382  0.354515  1
  Fe  Fe45  1  0.946033  0.348698  0.334902  1
  Fe  Fe46  1  0.612814  0.772382  0.354515  1
  Fe  Fe47  1  0.779366  0.848698  0.334902  1
  Fe  Fe48  1  0.946147  0.772382  0.354515  1
  Fe  Fe49  1  0.057100  0.484476  0.364621  1
  Fe  Fe50  1  0.223697  0.408145  0.384775  1
  Fe  Fe51  1  0.057030  0.908145  0.384775  1
  Fe  Fe52  1  0.390433  0.484476  0.364621  1
  Fe  Fe53  1  0.557030  0.408145  0.384775  1
  Fe  Fe54  1  0.223767  0.984476  0.364621  1
  Fe  Fe55  1  0.390363  0.908145  0.384775  1
  Fe  Fe56  1  0.723767  0.484476  0.364621  1
  Fe  Fe57  1  0.890363  0.408145  0.384775  1
  Fe  Fe58  1  0.557100  0.984476  0.364621  1
  Fe  Fe59  1  0.723697  0.908145  0.384775  1
  Fe  Fe60  1  0.890433  0.984476  0.364621  1
  Fe  Fe61  1  0.112431  0.119975  0.394742  1
  Fe  Fe62  1  0.279115  0.196090  0.374702  1
  Fe  Fe63  1  0.112448  0.696090  0.374702  1
  Fe  Fe64  1  0.445765  0.119975  0.394742  1
  Fe  Fe65  1  0.612448  0.196090  0.374702  1
  Fe  Fe66  1  0.279098  0.619975  0.394742  1
  Fe  Fe67  1  0.445782  0.696090  0.374702  1
  Fe  Fe68  1  0.779098  0.119975  0.394742  1
  Fe  Fe69  1  0.945782  0.196090  0.374702  1
  Fe  Fe70  1  0.612431  0.619975  0.394742  1
  Fe  Fe71  1  0.779115  0.696090  0.374702  1
  Fe  Fe72  1  0.945765  0.619975  0.394742  1
  Fe  Fe73  1  0.057116  0.331751  0.404705  1
  Fe  Fe74  1  0.223810  0.255459  0.424809  1
  Fe  Fe75  1  0.057143  0.755459  0.424809  1
  Fe  Fe76  1  0.390450  0.331751  0.404705  1
  Fe  Fe77  1  0.557143  0.255459  0.424809  1
  Fe  Fe78  1  0.223783  0.831751  0.404705  1
  Fe  Fe79  1  0.390476  0.755459  0.424809  1
  Fe  Fe80  1  0.723783  0.331751  0.404705  1
  Fe  Fe81  1  0.890476  0.255459  0.424809  1
  Fe  Fe82  1  0.557116  0.831751  0.404705  1
  Fe  Fe83  1  0.723810  0.755459  0.424809  1
  Fe  Fe84  1  0.890450  0.831751  0.404705  1
  Fe  Fe85  1  0.112406  0.967304  0.434836  1
  Fe  Fe86  1  0.279031  0.043604  0.414785  1
  Fe  Fe87  1  0.112365  0.543604  0.414785  1
  Fe  Fe88  1  0.445739  0.967304  0.434836  1
  Fe  Fe89  1  0.612365  0.043604  0.414785  1
  Fe  Fe90  1  0.279072  0.467304  0.434836  1
  Fe  Fe91  1  0.445698  0.543604  0.414785  1
  Fe  Fe92  1  0.779072  0.967304  0.434836  1
  Fe  Fe93  1  0.945698  0.043604  0.414785  1
  Fe  Fe94  1  0.612406  0.467304  0.434836  1
  Fe  Fe95  1  0.779031  0.543604  0.414785  1
  Fe  Fe96  1  0.945739  0.467304  0.434836  1
  Fe  Fe97  1  0.057130  0.179167  0.444843  1
  Fe  Fe98  1  0.223797  0.102835  0.464897  1
  Fe  Fe99  1  0.057130  0.602835  0.464897  1
  Fe  Fe100  1  0.390463  0.179167  0.444843  1
  Fe  Fe101  1  0.557130  0.102835  0.464897  1
  Fe  Fe102  1  0.223797  0.679167  0.444843  1
  Fe  Fe103  1  0.390464  0.602835  0.464897  1
  Fe  Fe104  1  0.723797  0.179167  0.444843  1
  Fe  Fe105  1  0.890464  0.102835  0.464897  1
  Fe  Fe106  1  0.557130  0.679167  0.444843  1
  Fe  Fe107  1  0.723797  0.602835  0.464897  1
  Fe  Fe108  1  0.890463  0.679167  0.444843  1
  Fe  Fe109  1  0.112376  0.814672  0.474920  1
  Fe  Fe110  1  0.279042  0.890969  0.454860  1
  Fe  Fe111  1  0.112376  0.390969  0.454860  1
  Fe  Fe112  1  0.445709  0.814672  0.474920  1
  Fe  Fe113  1  0.612376  0.890969  0.454860  1
  Fe  Fe114  1  0.279043  0.314672  0.474920  1
  Fe  Fe115  1  0.445709  0.390969  0.454860  1
  Fe  Fe116  1  0.779043  0.814672  0.474920  1
  Fe  Fe117  1  0.945709  0.890969  0.454860  1
  Fe  Fe118  1  0.612376  0.314672  0.474920  1
  Fe  Fe119  1  0.779042  0.390969  0.454860  1
  Fe  Fe120  1  0.945709  0.314672  0.474920  1
  Fe  Fe121  1  0.057120  0.026520  0.484937  1
  Fe  Fe122  1  0.223795  0.950198  0.504984  1
  Fe  Fe123  1  0.057128  0.450198  0.504984  1
  Fe  Fe124  1  0.390453  0.026520  0.484937  1
  Fe  Fe125  1  0.557128  0.950198  0.504984  1
  Fe  Fe126  1  0.223787  0.526520  0.484937  1
  Fe  Fe127  1  0.390461  0.450198  0.504984  1
  Fe  Fe128  1  0.723787  0.026520  0.484937  1
  Fe  Fe129  1  0.890461  0.950198  0.504984  1
  Fe  Fe130  1  0.557120  0.526520  0.484937  1
  Fe  Fe131  1  0.723795  0.450198  0.504984  1
  Fe  Fe132  1  0.890453  0.526520  0.484937  1
  Fe  Fe133  1  0.112381  0.662042  0.515010  1
  Fe  Fe134  1  0.279039  0.738364  0.494963  1
  Fe  Fe135  1  0.112373  0.238364  0.494963  1
  Fe  Fe136  1  0.445714  0.662042  0.515010  1
  Fe  Fe137  1  0.612373  0.738364  0.494963  1
  Fe  Fe138  1  0.279047  0.162042  0.515010  1
  Fe  Fe139  1  0.445706  0.238364  0.494963  1
  Fe  Fe140  1  0.779047  0.662042  0.515010  1
  Fe  Fe141  1  0.945706  0.738364  0.494963  1
  Fe  Fe142  1  0.612381  0.162042  0.515010  1
  Fe  Fe143  1  0.779039  0.238364  0.494963  1
  Fe  Fe144  1  0.945714  0.162042  0.515010  1
  Fe  Fe145  1  0.057125  0.873891  0.525028  1
  Fe  Fe146  1  0.223792  0.797593  0.545088  1
  Fe  Fe147  1  0.057125  0.297593  0.545088  1
  Fe  Fe148  1  0.390458  0.873891  0.525028  1
  Fe  Fe149  1  0.557125  0.797593  0.545088  1
  Fe  Fe150  1  0.223791  0.373891  0.525028  1
  Fe  Fe151  1  0.390458  0.297593  0.545088  1
  Fe  Fe152  1  0.723791  0.873891  0.525028  1
  Fe  Fe153  1  0.890458  0.797593  0.545088  1
  Fe  Fe154  1  0.557125  0.373891  0.525028  1
  Fe  Fe155  1  0.723792  0.297593  0.545088  1
  Fe  Fe156  1  0.890458  0.373891  0.525028  1
  Fe  Fe157  1  0.112371  0.509395  0.555105  1
  Fe  Fe158  1  0.279037  0.585727  0.535050  1
  Fe  Fe159  1  0.112370  0.085727  0.535050  1
  Fe  Fe160  1  0.445704  0.509395  0.555105  1
  Fe  Fe161  1  0.612370  0.585727  0.535050  1
  Fe  Fe162  1  0.279037  0.009395  0.555105  1
  Fe  Fe163  1  0.445704  0.085727  0.535050  1
  Fe  Fe164  1  0.779037  0.509395  0.555105  1
  Fe  Fe165  1  0.945704  0.585727  0.535050  1
  Fe  Fe166  1  0.612371  0.009395  0.555105  1
  Fe  Fe167  1  0.779037  0.085727  0.535050  1
  Fe  Fe168  1  0.945704  0.009395  0.555105  1
  Fe  Fe169  1  0.057095  0.721258  0.565111  1
  Fe  Fe170  1  0.223803  0.644958  0.585162  1
  Fe  Fe171  1  0.057136  0.144958  0.585162  1
  Fe  Fe172  1  0.390428  0.721258  0.565111  1
  Fe  Fe173  1  0.557136  0.644958  0.585162  1
  Fe  Fe174  1  0.223761  0.221258  0.565111  1
  Fe  Fe175  1  0.390469  0.144958  0.585162  1
  Fe  Fe176  1  0.723761  0.721258  0.565111  1
  Fe  Fe177  1  0.890469  0.644958  0.585162  1
  Fe  Fe178  1  0.557095  0.221258  0.565111  1
  Fe  Fe179  1  0.723803  0.144958  0.585162  1
  Fe  Fe180  1  0.890428  0.221258  0.565111  1
  Fe  Fe181  1  0.112384  0.356811  0.595242  1
  Fe  Fe182  1  0.279024  0.433104  0.575138  1
  Fe  Fe183  1  0.112358  0.933104  0.575138  1
  Fe  Fe184  1  0.445718  0.356811  0.595242  1
  Fe  Fe185  1  0.612358  0.433104  0.575138  1
  Fe  Fe186  1  0.279051  0.856811  0.595242  1
  Fe  Fe187  1  0.445691  0.933104  0.575138  1
  Fe  Fe188  1  0.779051  0.356811  0.595242  1
  Fe  Fe189  1  0.945691  0.433104  0.575138  1
  Fe  Fe190  1  0.612384  0.856811  0.595242  1
  Fe  Fe191  1  0.779024  0.933104  0.575138  1
  Fe  Fe192  1  0.945718  0.856811  0.595242  1
  Fe  Fe193  1  0.057069  0.568587  0.605205  1
  Fe  Fe194  1  0.223719  0.492472  0.625246  1
  Fe  Fe195  1  0.057052  0.992472  0.625246  1
  Fe  Fe196  1  0.390403  0.568587  0.605205  1
  Fe  Fe197  1  0.557052  0.492472  0.625246  1
  Fe  Fe198  1  0.223736  0.068587  0.605205  1
  Fe  Fe199  1  0.390386  0.992472  0.625246  1
  Fe  Fe200  1  0.723736  0.568587  0.605205  1
  Fe  Fe201  1  0.890386  0.492472  0.625246  1
  Fe  Fe202  1  0.557069  0.068587  0.605205  1
  Fe  Fe203  1  0.723719  0.992472  0.625246  1
  Fe  Fe204  1  0.890403  0.068587  0.605205  1
  Fe  Fe205  1  0.112401  0.204086  0.635326  1
  Fe  Fe206  1  0.279137  0.280417  0.615172  1
  Fe  Fe207  1  0.112471  0.780417  0.615172  1
  Fe  Fe208  1  0.445734  0.204086  0.635326  1
  Fe  Fe209  1  0.612471  0.280417  0.615172  1
  Fe  Fe210  1  0.279067  0.704086  0.635326  1
  Fe  Fe211  1  0.445804  0.780417  0.615172  1
  Fe  Fe212  1  0.779067  0.204086  0.635326  1
  Fe  Fe213  1  0.945804  0.280417  0.615172  1
  Fe  Fe214  1  0.612401  0.704086  0.635326  1
  Fe  Fe215  1  0.779137  0.780417  0.615172  1
  Fe  Fe216  1  0.945734  0.704086  0.635326  1
  Fe  Fe217  1  0.056687  0.416180  0.645432  1
  Fe  Fe218  1  0.223468  0.339864  0.665045  1
  Fe  Fe219  1  0.056801  0.839864  0.665045  1
  Fe  Fe220  1  0.390020  0.416180  0.645432  1
  Fe  Fe221  1  0.556801  0.339864  0.665045  1
  Fe  Fe222  1  0.223354  0.916180  0.645432  1
  Fe  Fe223  1  0.390134  0.839864  0.665045  1
  Fe  Fe224  1  0.723354  0.416180  0.645432  1
  Fe  Fe225  1  0.890134  0.339864  0.665045  1
  Fe  Fe226  1  0.556687  0.916180  0.645432  1
  Fe  Fe227  1  0.723468  0.839864  0.665045  1
  Fe  Fe228  1  0.890020  0.916180  0.645432  1
  Fe  Fe229  1  0.112119  0.052000  0.675457  1
  Fe  Fe230  1  0.279251  0.127700  0.655269  1
  Fe  Fe231  1  0.112584  0.627700  0.655269  1
  Fe  Fe232  1  0.445453  0.052000  0.675457  1
  Fe  Fe233  1  0.612584  0.127700  0.655269  1
  Fe  Fe234  1  0.278786  0.552000  0.675457  1
  Fe  Fe235  1  0.445918  0.627700  0.655269  1
  Fe  Fe236  1  0.778786  0.052000  0.675457  1
  Fe  Fe237  1  0.945918  0.127700  0.655269  1
  Fe  Fe238  1  0.612119  0.552000  0.675457  1
  Fe  Fe239  1  0.779251  0.627700  0.655269  1
  Fe  Fe240  1  0.945453  0.552000  0.675457  1
  Fe  Fe241  1  0.057772  0.263621  0.685273  1
  Fe  Fe242  1  0.224787  0.187643  0.704102  1
  Fe  Fe243  1  0.058121  0.687643  0.704102  1
  Fe  Fe244  1  0.391106  0.263621  0.685273  1
  Fe  Fe245  1  0.558121  0.187643  0.704102  1
  Fe  Fe246  1  0.224439  0.763621  0.685273  1
  Fe  Fe247  1  0.391454  0.687643  0.704102  1
  Fe  Fe248  1  0.724439  0.263621  0.685273  1
  Fe  Fe249  1  0.891454  0.187643  0.704102  1
  Fe  Fe250  1  0.557772  0.763621  0.685273  1
  Fe  Fe251  1  0.724787  0.687643  0.704102  1
  Fe  Fe252  1  0.891106  0.763621  0.685273  1
  Fe  Fe253  1  0.111761  0.896983  0.713440  1
  Fe  Fe254  1  0.278511  0.975240  0.695149  1
  Fe  Fe255  1  0.111845  0.475240  0.695149  1
  Fe  Fe256  1  0.445094  0.896983  0.713440  1
  Fe  Fe257  1  0.611845  0.975240  0.695149  1
  Fe  Fe258  1  0.278427  0.396983  0.713440  1
  Fe  Fe259  1  0.445178  0.475240  0.695149  1
  Fe  Fe260  1  0.778427  0.896983  0.713440  1
  Fe  Fe261  1  0.945178  0.975240  0.695149  1
  Fe  Fe262  1  0.611761  0.396983  0.713440  1
  Fe  Fe263  1  0.778511  0.475240  0.695149  1
  Fe  Fe264  1  0.945094  0.396983  0.713440  1
