# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.31927791
_cell_length_b   10.30280561
_cell_length_c   47.79062527
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe180
_cell_volume   4834.48136488
_cell_formula_units_Z   180
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  0.764210  0.096771  0.302761  1
  Fe  Fe2  1  0.095959  0.765202  0.302757  1
  Fe  Fe3  1  0.001394  0.002217  0.323181  1
  Fe  Fe4  1  0.390728  0.052831  0.313327  1
  Fe  Fe5  1  0.707985  0.709142  0.289352  1
  Fe  Fe6  1  0.051808  0.391827  0.313306  1
  Fe  Fe7  1  0.420934  0.422004  0.278097  1
  Fe  Fe8  1  0.334481  0.683003  0.323159  1
  Fe  Fe9  1  0.681994  0.335392  0.323148  1
  Fe  Fe10  1  0.497448  0.807547  0.316451  1
  Fe  Fe11  1  0.806714  0.498430  0.316441  1
  Fe  Fe12  1  0.847061  0.847563  0.306647  1
  Fe  Fe13  1  0.241915  0.910146  0.294932  1
  Fe  Fe14  1  0.559602  0.560285  0.295467  1
  Fe  Fe15  1  0.908995  0.242805  0.294940  1
  Fe  Fe16  1  0.272924  0.273529  0.284542  1
  Fe  Fe17  1  0.212795  0.518391  0.305506  1
  Fe  Fe18  1  0.517615  0.213602  0.305483  1
  Fe  Fe19  1  0.628888  0.976486  0.332943  1
  Fe  Fe20  1  0.975519  0.629808  0.332926  1
  Fe  Fe21  1  0.870647  0.871370  0.356879  1
  Fe  Fe22  1  0.261085  0.927101  0.345256  1
  Fe  Fe23  1  0.581672  0.582477  0.345982  1
  Fe  Fe24  1  0.926127  0.262025  0.345253  1
  Fe  Fe25  1  0.292780  0.293628  0.335039  1
  Fe  Fe26  1  0.224243  0.542373  0.356309  1
  Fe  Fe27  1  0.541547  0.225185  0.356297  1
  Fe  Fe28  1  0.356586  0.703328  0.374464  1
  Fe  Fe29  1  0.702363  0.357523  0.374457  1
  Fe  Fe30  1  0.727112  0.727987  0.339980  1
  Fe  Fe31  1  0.115331  0.785295  0.352924  1
  Fe  Fe32  1  0.437516  0.438332  0.329017  1
  Fe  Fe33  1  0.784276  0.116319  0.352923  1
  Fe  Fe34  1  0.145883  0.146758  0.317305  1
  Fe  Fe35  1  0.071746  0.410145  0.363793  1
  Fe  Fe36  1  0.409110  0.072808  0.363803  1
  Fe  Fe37  1  0.514714  0.830744  0.367193  1
  Fe  Fe38  1  0.829920  0.515653  0.367187  1
  Fe  Fe39  1  0.748821  0.749626  0.390072  1
  Fe  Fe40  1  0.136011  0.804878  0.403701  1
  Fe  Fe41  1  0.458428  0.459186  0.379131  1
  Fe  Fe42  1  0.803838  0.137029  0.403700  1
  Fe  Fe43  1  0.165874  0.166687  0.367779  1
  Fe  Fe44  1  0.091964  0.429984  0.414596  1
  Fe  Fe45  1  0.428943  0.093039  0.414599  1
  Fe  Fe46  1  0.245137  0.561810  0.407202  1
  Fe  Fe47  1  0.560972  0.246105  0.407196  1
  Fe  Fe48  1  0.603184  0.604004  0.396931  1
  Fe  Fe49  1  0.995274  0.650285  0.385007  1
  Fe  Fe50  1  0.313566  0.314442  0.385935  1
  Fe  Fe51  1  0.649343  0.996266  0.385011  1
  Fe  Fe52  1  0.022962  0.023857  0.374584  1
  Fe  Fe53  1  0.946511  0.281736  0.396186  1
  Fe  Fe54  1  0.280798  0.947477  0.396188  1
  Fe  Fe55  1  0.376848  0.723550  0.425529  1
  Fe  Fe56  1  0.722585  0.377797  0.425525  1
  Fe  Fe57  1  0.623620  0.624456  0.447850  1
  Fe  Fe58  1  0.015752  0.670649  0.436179  1
  Fe  Fe59  1  0.333849  0.334739  0.436779  1
  Fe  Fe60  1  0.669693  0.016747  0.436181  1
  Fe  Fe61  1  0.043224  0.044128  0.425708  1
  Fe  Fe62  1  0.966706  0.301985  0.447106  1
  Fe  Fe63  1  0.301038  0.967679  0.447106  1
  Fe  Fe64  1  0.112128  0.450146  0.465405  1
  Fe  Fe65  1  0.449095  0.113209  0.465407  1
  Fe  Fe66  1  0.478677  0.479440  0.429634  1
  Fe  Fe67  1  0.850035  0.535776  0.418156  1
  Fe  Fe68  1  0.185988  0.186800  0.418526  1
  Fe  Fe69  1  0.534810  0.850880  0.418161  1
  Fe  Fe70  1  0.891523  0.892282  0.407766  1
  Fe  Fe71  1  0.823920  0.157318  0.454550  1
  Fe  Fe72  1  0.156292  0.824966  0.454552  1
  Fe  Fe73  1  0.265528  0.581848  0.458077  1
  Fe  Fe74  1  0.581004  0.266503  0.458073  1
  Fe  Fe75  1  0.498855  0.499625  0.480348  1
  Fe  Fe76  1  0.870224  0.556224  0.469101  1
  Fe  Fe77  1  0.206173  0.206993  0.469353  1
  Fe  Fe78  1  0.555245  0.871075  0.469104  1
  Fe  Fe79  1  0.911764  0.912532  0.458713  1
  Fe  Fe80  1  0.844117  0.177513  0.505372  1
  Fe  Fe81  1  0.176481  0.845169  0.505373  1
  Fe  Fe82  1  0.986866  0.322321  0.498010  1
  Fe  Fe83  1  0.321366  0.987847  0.498010  1
  Fe  Fe84  1  0.354059  0.354956  0.487604  1
  Fe  Fe85  1  0.742809  0.398208  0.476490  1
  Fe  Fe86  1  0.063469  0.064379  0.476685  1
  Fe  Fe87  1  0.397246  0.743781  0.476491  1
  Fe  Fe88  1  0.769089  0.769902  0.440607  1
  Fe  Fe89  1  0.690017  0.036989  0.487183  1
  Fe  Fe90  1  0.035991  0.690983  0.487184  1
  Fe  Fe91  1  0.132218  0.470367  0.516159  1
  Fe  Fe92  1  0.469308  0.133303  0.516159  1
  Fe  Fe93  1  0.374278  0.375182  0.538410  1
  Fe  Fe94  1  0.763064  0.418659  0.527438  1
  Fe  Fe95  1  0.083705  0.084621  0.527602  1
  Fe  Fe96  1  0.417684  0.764044  0.527438  1
  Fe  Fe97  1  0.789301  0.790117  0.491403  1
  Fe  Fe98  1  0.710397  0.057181  0.538155  1
  Fe  Fe99  1  0.056180  0.711374  0.538159  1
  Fe  Fe100  1  0.864352  0.197620  0.556084  1
  Fe  Fe101  1  0.196581  0.865413  0.556086  1
  Fe  Fe102  1  0.226395  0.227223  0.520232  1
  Fe  Fe103  1  0.601191  0.286774  0.508923  1
  Fe  Fe104  1  0.931945  0.932718  0.509707  1
  Fe  Fe105  1  0.285794  0.602042  0.508926  1
  Fe  Fe106  1  0.643906  0.644753  0.498796  1
  Fe  Fe107  1  0.575812  0.891213  0.520071  1
  Fe  Fe108  1  0.890356  0.576804  0.520069  1
  Fe  Fe109  1  0.006983  0.342758  0.548907  1
  Fe  Fe110  1  0.341791  0.007974  0.548906  1
  Fe  Fe111  1  0.246664  0.247502  0.571199  1
  Fe  Fe112  1  0.621466  0.306995  0.559743  1
  Fe  Fe113  1  0.952093  0.952871  0.560830  1
  Fe  Fe114  1  0.306006  0.622325  0.559746  1
  Fe  Fe115  1  0.664223  0.665080  0.549805  1
  Fe  Fe116  1  0.596644  0.911312  0.571117  1
  Fe  Fe117  1  0.910449  0.597655  0.571117  1
  Fe  Fe118  1  0.730983  0.077263  0.589183  1
  Fe  Fe119  1  0.076257  0.731979  0.589191  1
  Fe  Fe120  1  0.103939  0.104866  0.578473  1
  Fe  Fe121  1  0.489530  0.153295  0.566765  1
  Fe  Fe122  1  0.809585  0.810405  0.542395  1
  Fe  Fe123  1  0.152203  0.490598  0.566764  1
  Fe  Fe124  1  0.519086  0.519864  0.531171  1
  Fe  Fe125  1  0.438307  0.784357  0.578420  1
  Fe  Fe126  1  0.783366  0.439303  0.578422  1
  Fe  Fe127  1  0.884498  0.217920  0.606548  1
  Fe  Fe128  1  0.216862  0.885576  0.606551  1
  Fe  Fe129  1  0.123786  0.124732  0.629265  1
  Fe  Fe130  1  0.509943  0.173141  0.617064  1
  Fe  Fe131  1  0.829940  0.830765  0.593615  1
  Fe  Fe132  1  0.172042  0.511022  0.617063  1
  Fe  Fe133  1  0.539348  0.540139  0.582057  1
  Fe  Fe134  1  0.458928  0.804898  0.629531  1
  Fe  Fe135  1  0.803891  0.459948  0.629537  1
  Fe  Fe136  1  0.617203  0.931525  0.622393  1
  Fe  Fe137  1  0.930660  0.618231  0.622395  1
  Fe  Fe138  1  0.972594  0.973395  0.612370  1
  Fe  Fe139  1  0.362323  0.028251  0.599810  1
  Fe  Fe140  1  0.684617  0.685486  0.600930  1
  Fe  Fe141  1  0.027247  0.363307  0.599811  1
  Fe  Fe142  1  0.394476  0.395390  0.589198  1
  Fe  Fe143  1  0.326341  0.642589  0.610537  1
  Fe  Fe144  1  0.641711  0.327356  0.610535  1
  Fe  Fe145  1  0.753422  0.096605  0.640312  1
  Fe  Fe146  1  0.095557  0.754474  0.640335  1
  Fe  Fe147  1  0.997823  0.998743  0.666270  1
  Fe  Fe148  1  0.380363  0.051336  0.650753  1
  Fe  Fe149  1  0.704029  0.704821  0.652270  1
  Fe  Fe150  1  0.050302  0.381376  0.650754  1
  Fe  Fe151  1  0.414249  0.415170  0.640012  1
  Fe  Fe152  1  0.349180  0.660480  0.661388  1
  Fe  Fe153  1  0.659578  0.350252  0.661391  1
  Fe  Fe154  1  0.466716  0.828723  0.681211  1
  Fe  Fe155  1  0.827786  0.467497  0.681242  1
  Fe  Fe156  1  0.850048  0.850896  0.645128  1
  Fe  Fe157  1  0.239214  0.902788  0.656620  1
  Fe  Fe158  1  0.559679  0.560498  0.632970  1
  Fe  Fe159  1  0.901666  0.240358  0.656615  1
  Fe  Fe160  1  0.267185  0.268037  0.622449  1
  Fe  Fe161  1  0.191921  0.531652  0.666813  1
  Fe  Fe162  1  0.530530  0.193067  0.666815  1
  Fe  Fe163  1  0.632622  0.951534  0.674048  1
  Fe  Fe164  1  0.950641  0.633601  0.674062  1
  Fe  Fe165  1  0.876796  0.877875  0.695221  1
  Fe  Fe166  1  0.213320  0.937541  0.706169  1
  Fe  Fe167  1  0.584617  0.585438  0.683761  1
  Fe  Fe168  1  0.936607  0.213769  0.706154  1
  Fe  Fe169  1  0.293140  0.294044  0.676637  1
  Fe  Fe170  1  0.228047  0.509959  0.716482  1
  Fe  Fe171  1  0.509308  0.228809  0.716501  1
  Fe  Fe172  1  0.353443  0.686593  0.711921  1
  Fe  Fe173  1  0.685568  0.354555  0.711941  1
  Fe  Fe174  1  0.727356  0.728272  0.702314  1
  Fe  Fe175  1  0.123046  0.754895  0.691249  1
  Fe  Fe176  1  0.440769  0.441758  0.690511  1
  Fe  Fe177  1  0.753807  0.124203  0.691201  1
  Fe  Fe178  1  0.148869  0.150053  0.679457  1
  Fe  Fe179  1  0.060667  0.397089  0.701521  1
  Fe  Fe180  1  0.396013  0.061714  0.701519  1
