# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.74412341
_cell_length_b   13.72692818
_cell_length_c   47.43761999
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.09604376
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe324
_cell_volume   8926.93904393
_cell_formula_units_Z   324
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  0.255013  0.805284  0.321685  1
  Fe  Fe2  1  0.234904  0.516930  0.289331  1
  Fe  Fe3  1  0.411069  0.495729  0.305377  1
  Fe  Fe4  1  0.588346  0.471951  0.321685  1
  Fe  Fe5  1  0.244402  0.162395  0.305377  1
  Fe  Fe6  1  0.421679  0.138617  0.321685  1
  Fe  Fe7  1  0.401571  0.850263  0.289331  1
  Fe  Fe8  1  0.577735  0.829062  0.305377  1
  Fe  Fe9  1  0.755013  0.805284  0.321685  1
  Fe  Fe10  1  0.734904  0.516930  0.289331  1
  Fe  Fe11  1  0.911069  0.495729  0.305377  1
  Fe  Fe12  1  0.088346  0.471951  0.321685  1
  Fe  Fe13  1  0.568238  0.183597  0.289331  1
  Fe  Fe14  1  0.744402  0.162395  0.305377  1
  Fe  Fe15  1  0.921679  0.138617  0.321685  1
  Fe  Fe16  1  0.901571  0.850263  0.289331  1
  Fe  Fe17  1  0.077735  0.829062  0.305377  1
  Fe  Fe18  1  0.068238  0.183597  0.289331  1
  Fe  Fe19  1  0.288404  0.696795  0.279400  1
  Fe  Fe20  1  0.295293  0.344110  0.295098  1
  Fe  Fe21  1  0.471657  0.320830  0.310684  1
  Fe  Fe22  1  0.621737  0.363462  0.279400  1
  Fe  Fe23  1  0.304990  0.987496  0.310684  1
  Fe  Fe24  1  0.455070  0.030129  0.279400  1
  Fe  Fe25  1  0.461960  0.677444  0.295098  1
  Fe  Fe26  1  0.638323  0.654163  0.310684  1
  Fe  Fe27  1  0.788404  0.696795  0.279400  1
  Fe  Fe28  1  0.795293  0.344110  0.295098  1
  Fe  Fe29  1  0.971657  0.320830  0.310684  1
  Fe  Fe30  1  0.121737  0.363462  0.279400  1
  Fe  Fe31  1  0.628626  0.010777  0.295098  1
  Fe  Fe32  1  0.804990  0.987496  0.310684  1
  Fe  Fe33  1  0.955070  0.030129  0.279400  1
  Fe  Fe34  1  0.961960  0.677444  0.295098  1
  Fe  Fe35  1  0.138323  0.654163  0.310684  1
  Fe  Fe36  1  0.128626  0.010777  0.295098  1
  Fe  Fe37  1  0.285628  0.735977  0.371909  1
  Fe  Fe38  1  0.265114  0.448414  0.338592  1
  Fe  Fe39  1  0.442252  0.425582  0.355001  1
  Fe  Fe40  1  0.618961  0.402644  0.371909  1
  Fe  Fe41  1  0.275585  0.092249  0.355001  1
  Fe  Fe42  1  0.452294  0.069310  0.371909  1
  Fe  Fe43  1  0.431780  0.781748  0.338592  1
  Fe  Fe44  1  0.608918  0.758916  0.355001  1
  Fe  Fe45  1  0.785628  0.735977  0.371909  1
  Fe  Fe46  1  0.765114  0.448414  0.338592  1
  Fe  Fe47  1  0.942252  0.425582  0.355001  1
  Fe  Fe48  1  0.118961  0.402644  0.371909  1
  Fe  Fe49  1  0.598447  0.115081  0.338592  1
  Fe  Fe50  1  0.775585  0.092249  0.355001  1
  Fe  Fe51  1  0.952294  0.069310  0.371909  1
  Fe  Fe52  1  0.931780  0.781748  0.338592  1
  Fe  Fe53  1  0.108918  0.758916  0.355001  1
  Fe  Fe54  1  0.098447  0.115081  0.338592  1
  Fe  Fe55  1  0.314575  0.630145  0.327837  1
  Fe  Fe56  1  0.324921  0.273974  0.344165  1
  Fe  Fe57  1  0.501114  0.251107  0.360753  1
  Fe  Fe58  1  0.647909  0.296812  0.327837  1
  Fe  Fe59  1  0.334447  0.917774  0.360753  1
  Fe  Fe60  1  0.481242  0.963478  0.327837  1
  Fe  Fe61  1  0.491588  0.607307  0.344165  1
  Fe  Fe62  1  0.667781  0.584441  0.360753  1
  Fe  Fe63  1  0.814575  0.630145  0.327837  1
  Fe  Fe64  1  0.824921  0.273974  0.344165  1
  Fe  Fe65  1  0.001114  0.251107  0.360753  1
  Fe  Fe66  1  0.147909  0.296812  0.327837  1
  Fe  Fe67  1  0.658254  0.940641  0.344165  1
  Fe  Fe68  1  0.834447  0.917774  0.360753  1
  Fe  Fe69  1  0.981242  0.963478  0.327837  1
  Fe  Fe70  1  0.991588  0.607307  0.344165  1
  Fe  Fe71  1  0.167781  0.584441  0.360753  1
  Fe  Fe72  1  0.158254  0.940641  0.344165  1
  Fe  Fe73  1  0.316534  0.666765  0.422012  1
  Fe  Fe74  1  0.296087  0.379400  0.388600  1
  Fe  Fe75  1  0.472898  0.356426  0.405254  1
  Fe  Fe76  1  0.649868  0.333431  0.422012  1
  Fe  Fe77  1  0.306231  0.023093  0.405254  1
  Fe  Fe78  1  0.483201  1.000098  0.422012  1
  Fe  Fe79  1  0.462754  0.712734  0.388600  1
  Fe  Fe80  1  0.639564  0.689759  0.405254  1
  Fe  Fe81  1  0.816534  0.666765  0.422012  1
  Fe  Fe82  1  0.796087  0.379400  0.388600  1
  Fe  Fe83  1  0.972898  0.356426  0.405254  1
  Fe  Fe84  1  0.149868  0.333431  0.422012  1
  Fe  Fe85  1  0.629420  0.046067  0.388600  1
  Fe  Fe86  1  0.806231  0.023093  0.405254  1
  Fe  Fe87  1  0.983201  1.000098  0.422012  1
  Fe  Fe88  1  0.962754  0.712734  0.388600  1
  Fe  Fe89  1  0.139564  0.689759  0.405254  1
  Fe  Fe90  1  0.129420  0.046067  0.388600  1
  Fe  Fe91  1  0.344817  0.561275  0.377615  1
  Fe  Fe92  1  0.354873  0.204947  0.394235  1
  Fe  Fe93  1  0.531764  0.182037  0.410912  1
  Fe  Fe94  1  0.678151  0.227942  0.377615  1
  Fe  Fe95  1  0.365098  0.848704  0.410912  1
  Fe  Fe96  1  0.511484  0.894608  0.377615  1
  Fe  Fe97  1  0.521540  0.538280  0.394235  1
  Fe  Fe98  1  0.698431  0.515370  0.410912  1
  Fe  Fe99  1  0.844817  0.561275  0.377615  1
  Fe  Fe100  1  0.854873  0.204947  0.394235  1
  Fe  Fe101  1  0.031764  0.182037  0.410912  1
  Fe  Fe102  1  0.178151  0.227942  0.377615  1
  Fe  Fe103  1  0.688206  0.871613  0.394235  1
  Fe  Fe104  1  0.865098  0.848704  0.410912  1
  Fe  Fe105  1  0.011484  0.894608  0.377615  1
  Fe  Fe106  1  0.021540  0.538280  0.394235  1
  Fe  Fe107  1  0.198431  0.515370  0.410912  1
  Fe  Fe108  1  0.188206  0.871613  0.394235  1
  Fe  Fe109  1  0.347295  0.597660  0.472123  1
  Fe  Fe110  1  0.326793  0.310344  0.438711  1
  Fe  Fe111  1  0.503699  0.287345  0.455404  1
  Fe  Fe112  1  0.680629  0.264327  0.472123  1
  Fe  Fe113  1  0.337033  0.954012  0.455404  1
  Fe  Fe114  1  0.513962  0.930994  0.472123  1
  Fe  Fe115  1  0.493459  0.643677  0.438711  1
  Fe  Fe116  1  0.670366  0.620679  0.455404  1
  Fe  Fe117  1  0.847295  0.597660  0.472123  1
  Fe  Fe118  1  0.826793  0.310344  0.438711  1
  Fe  Fe119  1  0.003699  0.287345  0.455404  1
  Fe  Fe120  1  0.180629  0.264327  0.472123  1
  Fe  Fe121  1  0.660126  0.977011  0.438711  1
  Fe  Fe122  1  0.837033  0.954012  0.455404  1
  Fe  Fe123  1  0.013962  0.930994  0.472123  1
  Fe  Fe124  1  0.993459  0.643677  0.438711  1
  Fe  Fe125  1  0.170366  0.620679  0.455404  1
  Fe  Fe126  1  0.160126  0.977011  0.438711  1
  Fe  Fe127  1  0.375320  0.492270  0.427656  1
  Fe  Fe128  1  0.385559  0.135926  0.444325  1
  Fe  Fe129  1  0.562466  0.112941  0.461033  1
  Fe  Fe130  1  0.708653  0.158937  0.427656  1
  Fe  Fe131  1  0.395799  0.779608  0.461033  1
  Fe  Fe132  1  0.541986  0.825604  0.427656  1
  Fe  Fe133  1  0.552226  0.469259  0.444325  1
  Fe  Fe134  1  0.729132  0.446275  0.461033  1
  Fe  Fe135  1  0.875320  0.492270  0.427656  1
  Fe  Fe136  1  0.885559  0.135926  0.444325  1
  Fe  Fe137  1  0.062466  0.112941  0.461033  1
  Fe  Fe138  1  0.208653  0.158937  0.427656  1
  Fe  Fe139  1  0.718892  0.802593  0.444325  1
  Fe  Fe140  1  0.895799  0.779608  0.461033  1
  Fe  Fe141  1  0.041986  0.825604  0.427656  1
  Fe  Fe142  1  0.052226  0.469259  0.444325  1
  Fe  Fe143  1  0.229132  0.446275  0.461033  1
  Fe  Fe144  1  0.218892  0.802593  0.444325  1
  Fe  Fe145  1  0.378060  0.528591  0.522226  1
  Fe  Fe146  1  0.357556  0.241280  0.488822  1
  Fe  Fe147  1  0.534473  0.218275  0.505528  1
  Fe  Fe148  1  0.711393  0.195258  0.522226  1
  Fe  Fe149  1  0.367806  0.884941  0.505528  1
  Fe  Fe150  1  0.544727  0.861924  0.522226  1
  Fe  Fe151  1  0.524222  0.574613  0.488822  1
  Fe  Fe152  1  0.701140  0.551608  0.505528  1
  Fe  Fe153  1  0.878060  0.528591  0.522226  1
  Fe  Fe154  1  0.857556  0.241280  0.488822  1
  Fe  Fe155  1  0.034473  0.218275  0.505528  1
  Fe  Fe156  1  0.211393  0.195258  0.522226  1
  Fe  Fe157  1  0.690889  0.907947  0.488822  1
  Fe  Fe158  1  0.867806  0.884941  0.505528  1
  Fe  Fe159  1  0.044727  0.861924  0.522226  1
  Fe  Fe160  1  0.024222  0.574613  0.488822  1
  Fe  Fe161  1  0.201140  0.551608  0.505528  1
  Fe  Fe162  1  0.190889  0.907947  0.488822  1
  Fe  Fe163  1  0.406056  0.423226  0.477741  1
  Fe  Fe164  1  0.416310  0.066876  0.494439  1
  Fe  Fe165  1  0.593227  0.043870  0.511145  1
  Fe  Fe166  1  0.739389  0.089893  0.477741  1
  Fe  Fe167  1  0.426561  0.710537  0.511145  1
  Fe  Fe168  1  0.572723  0.756559  0.477741  1
  Fe  Fe169  1  0.582977  0.400209  0.494439  1
  Fe  Fe170  1  0.759894  0.377204  0.511145  1
  Fe  Fe171  1  0.906056  0.423226  0.477741  1
  Fe  Fe172  1  0.916310  0.066876  0.494439  1
  Fe  Fe173  1  0.093227  0.043870  0.511145  1
  Fe  Fe174  1  0.239389  0.089893  0.477741  1
  Fe  Fe175  1  0.749643  0.733542  0.494439  1
  Fe  Fe176  1  0.926561  0.710537  0.511145  1
  Fe  Fe177  1  0.072723  0.756559  0.477741  1
  Fe  Fe178  1  0.082977  0.400209  0.494439  1
  Fe  Fe179  1  0.259894  0.377204  0.511145  1
  Fe  Fe180  1  0.249643  0.733542  0.494439  1
  Fe  Fe181  1  0.408796  0.459547  0.572311  1
  Fe  Fe182  1  0.388317  0.172209  0.538934  1
  Fe  Fe183  1  0.565224  0.149224  0.555641  1
  Fe  Fe184  1  0.742130  0.126213  0.572311  1
  Fe  Fe185  1  0.398557  0.815891  0.555641  1
  Fe  Fe186  1  0.575463  0.792880  0.572311  1
  Fe  Fe187  1  0.554984  0.505542  0.538934  1
  Fe  Fe188  1  0.731891  0.482558  0.555641  1
  Fe  Fe189  1  0.908796  0.459547  0.572311  1
  Fe  Fe190  1  0.888317  0.172209  0.538934  1
  Fe  Fe191  1  0.065224  0.149224  0.555641  1
  Fe  Fe192  1  0.242130  0.126213  0.572311  1
  Fe  Fe193  1  0.721651  0.838876  0.538934  1
  Fe  Fe194  1  0.898557  0.815891  0.555641  1
  Fe  Fe195  1  0.075463  0.792880  0.572311  1
  Fe  Fe196  1  0.054984  0.505542  0.538934  1
  Fe  Fe197  1  0.231891  0.482558  0.555641  1
  Fe  Fe198  1  0.221651  0.838876  0.538934  1
  Fe  Fe199  1  0.436821  0.354157  0.527843  1
  Fe  Fe200  1  0.447084  0.997805  0.544563  1
  Fe  Fe201  1  0.623990  0.974806  0.561256  1
  Fe  Fe202  1  0.770154  0.020823  0.527843  1
  Fe  Fe203  1  0.457324  0.641473  0.561256  1
  Fe  Fe204  1  0.603488  0.687490  0.527843  1
  Fe  Fe205  1  0.613750  0.331138  0.544563  1
  Fe  Fe206  1  0.790657  0.308140  0.561256  1
  Fe  Fe207  1  0.936821  0.354157  0.527843  1
  Fe  Fe208  1  0.947084  0.997805  0.544563  1
  Fe  Fe209  1  0.123990  0.974806  0.561256  1
  Fe  Fe210  1  0.270154  0.020823  0.527843  1
  Fe  Fe211  1  0.780417  0.664471  0.544563  1
  Fe  Fe212  1  0.957324  0.641473  0.561256  1
  Fe  Fe213  1  0.103488  0.687490  0.527843  1
  Fe  Fe214  1  0.113750  0.331138  0.544563  1
  Fe  Fe215  1  0.290657  0.308140  0.561256  1
  Fe  Fe216  1  0.280417  0.664471  0.544563  1
  Fe  Fe217  1  0.439299  0.390542  0.622351  1
  Fe  Fe218  1  0.419019  0.103113  0.589054  1
  Fe  Fe219  1  0.595910  0.080203  0.605732  1
  Fe  Fe220  1  0.772632  0.057208  0.622351  1
  Fe  Fe221  1  0.429243  0.746870  0.605732  1
  Fe  Fe222  1  0.605966  0.723875  0.622351  1
  Fe  Fe223  1  0.585685  0.436447  0.589054  1
  Fe  Fe224  1  0.762577  0.413537  0.605732  1
  Fe  Fe225  1  0.939299  0.390542  0.622351  1
  Fe  Fe226  1  0.919019  0.103113  0.589054  1
  Fe  Fe227  1  0.095910  0.080203  0.605732  1
  Fe  Fe228  1  0.272632  0.057208  0.622351  1
  Fe  Fe229  1  0.752352  0.769780  0.589054  1
  Fe  Fe230  1  0.929243  0.746870  0.605732  1
  Fe  Fe231  1  0.105966  0.723875  0.622351  1
  Fe  Fe232  1  0.085685  0.436447  0.589054  1
  Fe  Fe233  1  0.262577  0.413537  0.605732  1
  Fe  Fe234  1  0.252352  0.769780  0.589054  1
  Fe  Fe235  1  0.467582  0.285052  0.577954  1
  Fe  Fe236  1  0.477885  0.928724  0.594713  1
  Fe  Fe237  1  0.654696  0.905750  0.611367  1
  Fe  Fe238  1  0.800915  0.951719  0.577954  1
  Fe  Fe239  1  0.488029  0.572417  0.611367  1
  Fe  Fe240  1  0.634249  0.618386  0.577954  1
  Fe  Fe241  1  0.644552  0.262058  0.594713  1
  Fe  Fe242  1  0.821363  0.239083  0.611367  1
  Fe  Fe243  1  0.967582  0.285052  0.577954  1
  Fe  Fe244  1  0.977885  0.928724  0.594713  1
  Fe  Fe245  1  0.154696  0.905750  0.611367  1
  Fe  Fe246  1  0.300915  0.951719  0.577954  1
  Fe  Fe247  1  0.811219  0.595391  0.594713  1
  Fe  Fe248  1  0.988029  0.572417  0.611367  1
  Fe  Fe249  1  0.134249  0.618386  0.577954  1
  Fe  Fe250  1  0.144552  0.262058  0.594713  1
  Fe  Fe251  1  0.321363  0.239083  0.611367  1
  Fe  Fe252  1  0.311219  0.595391  0.594713  1
  Fe  Fe253  1  0.469541  0.321672  0.672129  1
  Fe  Fe254  1  0.449669  0.034043  0.639213  1
  Fe  Fe255  1  0.625862  0.011176  0.655801  1
  Fe  Fe256  1  0.802874  0.988338  0.672129  1
  Fe  Fe257  1  0.459195  0.677843  0.655801  1
  Fe  Fe258  1  0.636208  0.655005  0.672129  1
  Fe  Fe259  1  0.616335  0.367376  0.639213  1
  Fe  Fe260  1  0.792529  0.344509  0.655801  1
  Fe  Fe261  1  0.969541  0.321672  0.672129  1
  Fe  Fe262  1  0.949669  0.034043  0.639213  1
  Fe  Fe263  1  0.125862  0.011176  0.655801  1
  Fe  Fe264  1  0.302874  0.988338  0.672129  1
  Fe  Fe265  1  0.783002  0.700710  0.639213  1
  Fe  Fe266  1  0.959195  0.677843  0.655801  1
  Fe  Fe267  1  0.136208  0.655005  0.672129  1
  Fe  Fe268  1  0.116335  0.367376  0.639213  1
  Fe  Fe269  1  0.292529  0.344509  0.655801  1
  Fe  Fe270  1  0.283002  0.700710  0.639213  1
  Fe  Fe271  1  0.498489  0.215840  0.628057  1
  Fe  Fe272  1  0.508531  0.859568  0.644965  1
  Fe  Fe273  1  0.685669  0.836736  0.661374  1
  Fe  Fe274  1  0.831822  0.882506  0.628057  1
  Fe  Fe275  1  0.519003  0.503402  0.661374  1
  Fe  Fe276  1  0.665155  0.549173  0.628057  1
  Fe  Fe277  1  0.675198  0.192901  0.644965  1
  Fe  Fe278  1  0.852336  0.170069  0.661374  1
  Fe  Fe279  1  0.998489  0.215840  0.628057  1
  Fe  Fe280  1  0.008531  0.859568  0.644965  1
  Fe  Fe281  1  0.185669  0.836736  0.661374  1
  Fe  Fe282  1  0.331822  0.882506  0.628057  1
  Fe  Fe283  1  0.841865  0.526235  0.644965  1
  Fe  Fe284  1  0.019003  0.503402  0.661374  1
  Fe  Fe285  1  0.165155  0.549173  0.628057  1
  Fe  Fe286  1  0.175198  0.192901  0.644965  1
  Fe  Fe287  1  0.352336  0.170069  0.661374  1
  Fe  Fe288  1  0.341865  0.526235  0.644965  1
  Fe  Fe289  1  0.495713  0.255021  0.720566  1
  Fe  Fe290  1  0.479126  0.964321  0.689282  1
  Fe  Fe291  1  0.655490  0.941040  0.704868  1
  Fe  Fe292  1  0.829046  0.921688  0.720566  1
  Fe  Fe293  1  0.488823  0.607707  0.704868  1
  Fe  Fe294  1  0.662379  0.588355  0.720566  1
  Fe  Fe295  1  0.645793  0.297654  0.689282  1
  Fe  Fe296  1  0.822157  0.274373  0.704868  1
  Fe  Fe297  1  0.995713  0.255021  0.720566  1
  Fe  Fe298  1  0.979126  0.964321  0.689282  1
  Fe  Fe299  1  0.155490  0.941040  0.704868  1
  Fe  Fe300  1  0.329046  0.921688  0.720566  1
  Fe  Fe301  1  0.812459  0.630987  0.689282  1
  Fe  Fe302  1  0.988823  0.607707  0.704868  1
  Fe  Fe303  1  0.162379  0.588355  0.720566  1
  Fe  Fe304  1  0.145793  0.297654  0.689282  1
  Fe  Fe305  1  0.322157  0.274373  0.704868  1
  Fe  Fe306  1  0.312459  0.630987  0.689282  1
  Fe  Fe307  1  0.529104  0.146533  0.678281  1
  Fe  Fe308  1  0.539714  0.789422  0.694589  1
  Fe  Fe309  1  0.715878  0.768220  0.710635  1
  Fe  Fe310  1  0.862437  0.813199  0.678281  1
  Fe  Fe311  1  0.549212  0.434887  0.710635  1
  Fe  Fe312  1  0.695770  0.479866  0.678281  1
  Fe  Fe313  1  0.706381  0.122755  0.694589  1
  Fe  Fe314  1  0.882545  0.101554  0.710635  1
  Fe  Fe315  1  0.029104  0.146533  0.678281  1
  Fe  Fe316  1  0.039714  0.789422  0.694589  1
  Fe  Fe317  1  0.215878  0.768220  0.710635  1
  Fe  Fe318  1  0.362437  0.813199  0.678281  1
  Fe  Fe319  1  0.873047  0.456088  0.694589  1
  Fe  Fe320  1  0.049212  0.434887  0.710635  1
  Fe  Fe321  1  0.195770  0.479866  0.678281  1
  Fe  Fe322  1  0.206381  0.122755  0.694589  1
  Fe  Fe323  1  0.382545  0.101554  0.710635  1
  Fe  Fe324  1  0.373047  0.456088  0.694589  1
