# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.15224354
_cell_length_b   10.34432118
_cell_length_c   45.86729182
_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   3558.00788526
_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  0.273729  0.074283  0.313586  1
  Fe  Fe2  1  0.782675  0.109371  0.328850  1
  Fe  Fe3  1  0.711770  0.484751  0.297330  1
  Fe  Fe4  1  0.124132  0.802364  0.295798  1
  Fe  Fe5  1  0.223074  0.482583  0.296547  1
  Fe  Fe6  1  0.314736  0.733216  0.329816  1
  Fe  Fe7  1  0.936697  0.958588  0.310025  1
  Fe  Fe8  1  0.490458  0.954937  0.308357  1
  Fe  Fe9  1  0.390566  0.326542  0.295254  1
  Fe  Fe10  1  0.539526  0.631907  0.312963  1
  Fe  Fe11  1  0.887892  0.323217  0.295088  1
  Fe  Fe12  1  0.008051  0.563076  0.317177  1
  Fe  Fe13  1  0.970159  0.026761  0.360820  1
  Fe  Fe14  1  0.506451  0.027131  0.360337  1
  Fe  Fe15  1  0.415144  0.377942  0.346078  1
  Fe  Fe16  1  0.861082  0.726374  0.329719  1
  Fe  Fe17  1  0.903705  0.354225  0.347630  1
  Fe  Fe18  1  0.044659  0.638490  0.366784  1
  Fe  Fe19  1  0.656794  0.859688  0.345131  1
  Fe  Fe20  1  0.162219  0.878736  0.347905  1
  Fe  Fe21  1  0.105831  0.246192  0.326433  1
  Fe  Fe22  1  0.219863  0.499046  0.348916  1
  Fe  Fe23  1  0.597598  0.247882  0.326457  1
  Fe  Fe24  1  0.730383  0.496780  0.349733  1
  Fe  Fe25  1  0.687111  0.923158  0.396445  1
  Fe  Fe26  1  0.191676  0.931988  0.398554  1
  Fe  Fe27  1  0.131506  0.291526  0.379523  1
  Fe  Fe28  1  0.536941  0.623131  0.366230  1
  Fe  Fe29  1  0.607257  0.288886  0.379594  1
  Fe  Fe30  1  0.755850  0.554246  0.400078  1
  Fe  Fe31  1  0.372635  0.789175  0.380096  1
  Fe  Fe32  1  0.867035  0.787326  0.379917  1
  Fe  Fe33  1  0.805053  0.160996  0.380173  1
  Fe  Fe34  1  0.929317  0.410873  0.397959  1
  Fe  Fe35  1  0.291083  0.140200  0.364004  1
  Fe  Fe36  1  0.437841  0.424917  0.398055  1
  Fe  Fe37  1  0.396304  0.844199  0.431030  1
  Fe  Fe38  1  0.899472  0.846095  0.430045  1
  Fe  Fe39  1  0.832719  0.215488  0.431031  1
  Fe  Fe40  1  0.247606  0.553711  0.399207  1
  Fe  Fe41  1  0.320085  0.189930  0.414902  1
  Fe  Fe42  1  0.464407  0.481916  0.448322  1
  Fe  Fe43  1  0.070307  0.691866  0.417401  1
  Fe  Fe44  1  0.569719  0.690464  0.416194  1
  Fe  Fe45  1  0.533776  0.080337  0.412205  1
  Fe  Fe46  1  0.637489  0.341742  0.431059  1
  Fe  Fe47  1  -0.002550  0.082098  0.412111  1
  Fe  Fe48  1  0.154080  0.341970  0.431112  1
  Fe  Fe49  1  0.101261  0.749476  0.467868  1
  Fe  Fe50  1  0.592496  0.745721  0.466959  1
  Fe  Fe51  1  0.561500  0.134874  0.463571  1
  Fe  Fe52  1  0.957433  0.463262  0.448381  1
  Fe  Fe53  1  0.024721  0.134207  0.463440  1
  Fe  Fe54  1  0.181710  0.398365  0.482464  1
  Fe  Fe55  1  0.784413  0.612251  0.451513  1
  Fe  Fe56  1  0.273808  0.608357  0.449604  1
  Fe  Fe57  1  0.219436  0.987676  0.449300  1
  Fe  Fe58  1  0.348615  0.246714  0.465624  1
  Fe  Fe59  1  0.714210  0.978335  0.447667  1
  Fe  Fe60  1  0.862250  0.270466  0.482121  1
  Fe  Fe61  1  0.816274  0.684033  0.513623  1
  Fe  Fe62  1  0.298384  0.660142  0.500125  1
  Fe  Fe63  1  0.248121  0.042852  0.499874  1
  Fe  Fe64  1  0.665063  0.396596  0.482022  1
  Fe  Fe65  1  0.743046  0.032493  0.498701  1
  Fe  Fe66  1  0.896272  0.327819  0.532519  1
  Fe  Fe67  1  0.499333  0.540360  0.499001  1
  Fe  Fe68  1  0.978003  0.527440  0.498702  1
  Fe  Fe69  1  0.922988  0.895103  0.481068  1
  Fe  Fe70  1  0.059250  0.182107  0.514623  1
  Fe  Fe71  1  0.423139  0.898696  0.482242  1
  Fe  Fe72  1  0.586497  0.190577  0.514593  1
  Fe  Fe73  1  0.531164  0.596747  0.549986  1
  Fe  Fe74  1  0.006132  0.586044  0.549340  1
  Fe  Fe75  1  0.949914  0.944358  0.532442  1
  Fe  Fe76  1  0.378128  0.304636  0.516238  1
  Fe  Fe77  1  0.452235  0.956412  0.533545  1
  Fe  Fe78  1  0.615529  0.244546  0.565658  1
  Fe  Fe79  1  0.217154  0.459269  0.533478  1
  Fe  Fe80  1  0.691691  0.447515  0.533136  1
  Fe  Fe81  1  0.599971  0.799117  0.517867  1
  Fe  Fe82  1  0.773226  0.088890  0.549249  1
  Fe  Fe83  1  0.144199  0.806105  0.518303  1
  Fe  Fe84  1  0.276088  0.099415  0.550333  1
  Fe  Fe85  1  0.248519  0.516712  0.584554  1
  Fe  Fe86  1  0.721524  0.503012  0.583684  1
  Fe  Fe87  1  0.637975  0.854621  0.568369  1
  Fe  Fe88  1  0.088469  0.237830  0.565314  1
  Fe  Fe89  1  0.161404  0.861875  0.568480  1
  Fe  Fe90  1  0.301269  0.153692  0.600881  1
  Fe  Fe91  1  0.926724  0.385725  0.582966  1
  Fe  Fe92  1  0.407586  0.360212  0.566843  1
  Fe  Fe93  1  0.327448  0.716949  0.551173  1
  Fe  Fe94  1  0.478352  0.009135  0.584584  1
  Fe  Fe95  1  0.843474  0.738168  0.565652  1
  Fe  Fe96  1  0.972985  -0.000124  0.583857  1
  Fe  Fe97  1  0.953529  0.441874  0.633294  1
  Fe  Fe98  1  0.437737  0.417405  0.616985  1
  Fe  Fe99  1  0.357533  0.770448  0.602159  1
  Fe  Fe100  1  0.802102  0.147691  0.599566  1
  Fe  Fe101  1  0.872462  0.793507  0.616863  1
  Fe  Fe102  1  0.013978  0.060932  0.635199  1
  Fe  Fe103  1  0.636320  0.296488  0.616826  1
  Fe  Fe104  1  0.120104  0.297523  0.615682  1
  Fe  Fe105  1  0.037386  0.645035  0.600013  1
  Fe  Fe106  1  0.190552  0.915681  0.619130  1
  Fe  Fe107  1  0.562633  0.654418  0.600968  1
  Fe  Fe108  1  0.675650  0.915669  0.618950  1
  Fe  Fe109  1  0.693975  0.361638  0.667963  1
  Fe  Fe110  1  0.136396  0.338903  0.667477  1
  Fe  Fe111  1  0.053366  0.698225  0.651102  1
  Fe  Fe112  1  0.505376  0.062288  0.635779  1
  Fe  Fe113  1  0.596977  0.710921  0.652275  1
  Fe  Fe114  1  0.681933  0.969740  0.669952  1
  Fe  Fe115  1  0.346086  0.223008  0.650660  1
  Fe  Fe116  1  0.831216  0.202064  0.649748  1
  Fe  Fe117  1  0.738360  0.554606  0.634422  1
  Fe  Fe118  1  0.902391  0.850839  0.666964  1
  Fe  Fe119  1  0.281674  0.556838  0.636742  1
  Fe  Fe120  1  0.372749  0.815752  0.652891  1
  Fe  Fe121  1  0.322983  0.265803  0.702456  1
  Fe  Fe122  1  0.866595  0.252295  0.701444  1
  Fe  Fe123  1  0.775515  0.609691  0.685928  1
  Fe  Fe124  1  0.230174  0.980316  0.669712  1
  Fe  Fe125  1  0.342132  0.626675  0.689543  1
  Fe  Fe126  1  0.415743  0.882160  0.703378  1
  Fe  Fe127  1  0.012472  0.084455  0.689363  1
  Fe  Fe128  1  0.528234  0.135515  0.687298  1
  Fe  Fe129  1  0.470065  0.464538  0.668590  1
  Fe  Fe130  1  0.663870  0.785627  0.705252  1
  Fe  Fe131  1  0.009582  0.507551  0.684556  1
  Fe  Fe132  1  0.085520  0.768021  0.702306  1
