# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07279926
_cell_length_b   10.26915022
_cell_length_c   45.64211207
_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   3480.5594792
_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  0.296348  0.133140  0.310931  1
  Fe  Fe2  1  0.793087  0.126585  0.310067  1
  Fe  Fe3  1  0.730077  0.499122  0.296822  1
  Fe  Fe4  1  0.859868  0.766955  0.322930  1
  Fe  Fe5  1  0.228671  0.499124  0.296823  1
  Fe  Fe6  1  0.659161  0.858455  0.285084  1
  Fe  Fe7  1  0.982607  0.996461  0.297004  1
  Fe  Fe8  1  0.473597  0.996516  0.297002  1
  Fe  Fe9  1  0.409279  0.358725  0.284611  1
  Fe  Fe10  1  0.543581  0.627662  0.310376  1
  Fe  Fe11  1  0.908442  0.357054  0.284695  1
  Fe  Fe12  1  0.046786  0.634062  0.309794  1
  Fe  Fe13  1  1.000438  0.040541  0.350108  1
  Fe  Fe14  1  0.499474  0.040538  0.350108  1
  Fe  Fe15  1  0.431216  0.402988  0.337274  1
  Fe  Fe16  1  0.567532  0.675755  0.363498  1
  Fe  Fe17  1  0.932355  0.405259  0.336971  1
  Fe  Fe18  1  0.366557  0.766984  0.322924  1
  Fe  Fe19  1  0.681694  0.903956  0.337457  1
  Fe  Fe20  1  0.180785  0.902153  0.335672  1
  Fe  Fe21  1  0.112383  0.268110  0.322318  1
  Fe  Fe22  1  0.249585  0.540123  0.350096  1
  Fe  Fe23  1  0.615241  0.268109  0.322319  1
  Fe  Fe24  1  0.749905  0.540106  0.350094  1
  Fe  Fe25  1  0.704192  0.949184  0.390295  1
  Fe  Fe26  1  0.203749  0.948292  0.389663  1
  Fe  Fe27  1  0.135607  0.312302  0.376392  1
  Fe  Fe28  1  0.272185  0.585292  0.403411  1
  Fe  Fe29  1  0.635954  0.312296  0.376395  1
  Fe  Fe30  1  0.067912  0.676506  0.363244  1
  Fe  Fe31  1  0.385815  0.812496  0.376490  1
  Fe  Fe32  1  0.885939  0.812498  0.376488  1
  Fe  Fe33  1  0.817914  0.176510  0.363171  1
  Fe  Fe34  1  0.954088  0.448961  0.390149  1
  Fe  Fe35  1  0.317721  0.176115  0.363527  1
  Fe  Fe36  1  0.453912  0.448626  0.390274  1
  Fe  Fe37  1  0.408342  0.857683  0.430011  1
  Fe  Fe38  1  0.908377  0.857689  0.430002  1
  Fe  Fe39  1  0.840190  0.221296  0.416665  1
  Fe  Fe40  1  0.976527  0.494051  0.443453  1
  Fe  Fe41  1  0.340206  0.221314  0.416782  1
  Fe  Fe42  1  0.772247  0.585278  0.403401  1
  Fe  Fe43  1  0.090315  0.721536  0.416675  1
  Fe  Fe44  1  0.590244  0.721401  0.416785  1
  Fe  Fe45  1  0.521919  0.085225  0.403405  1
  Fe  Fe46  1  0.658399  0.357625  0.429996  1
  Fe  Fe47  1  0.022457  0.085231  0.403401  1
  Fe  Fe48  1  0.158261  0.357628  0.429990  1
  Fe  Fe49  1  0.112746  0.766621  0.470100  1
  Fe  Fe50  1  0.612712  0.766567  0.470150  1
  Fe  Fe51  1  0.544516  0.130303  0.456793  1
  Fe  Fe52  1  0.680840  0.402822  0.483461  1
  Fe  Fe53  1  0.044714  0.130315  0.456780  1
  Fe  Fe54  1  0.476460  0.493967  0.443509  1
  Fe  Fe55  1  0.794643  0.630324  0.456768  1
  Fe  Fe56  1  0.294619  0.630360  0.456797  1
  Fe  Fe57  1  0.226391  0.993795  0.443294  1
  Fe  Fe58  1  0.362717  0.266550  0.470144  1
  Fe  Fe59  1  0.726523  0.994079  0.443519  1
  Fe  Fe60  1  0.862693  0.266541  0.470103  1
  Fe  Fe61  1  0.817057  0.675401  0.510136  1
  Fe  Fe62  1  0.317089  0.675503  0.510219  1
  Fe  Fe63  1  0.248938  0.039101  0.496768  1
  Fe  Fe64  1  0.385218  0.311746  0.523542  1
  Fe  Fe65  1  0.748962  0.039197  0.496848  1
  Fe  Fe66  1  0.180791  0.402825  0.483446  1
  Fe  Fe67  1  0.498905  0.539129  0.496843  1
  Fe  Fe68  1  0.998992  0.539163  0.496817  1
  Fe  Fe69  1  0.930847  0.902868  0.483444  1
  Fe  Fe70  1  0.067125  0.175489  0.510192  1
  Fe  Fe71  1  0.430817  0.902846  0.483464  1
  Fe  Fe72  1  0.567045  0.175461  0.510223  1
  Fe  Fe73  1  0.521298  0.584274  0.550192  1
  Fe  Fe74  1  0.021506  0.584288  0.550181  1
  Fe  Fe75  1  0.953320  0.948048  0.536854  1
  Fe  Fe76  1  0.089609  0.220727  0.563644  1
  Fe  Fe77  1  0.453279  0.947987  0.536899  1
  Fe  Fe78  1  0.885167  0.311748  0.523527  1
  Fe  Fe79  1  0.203259  0.447956  0.536854  1
  Fe  Fe80  1  0.703280  0.447962  0.536896  1
  Fe  Fe81  1  0.635190  0.811756  0.523538  1
  Fe  Fe82  1  0.771413  0.084357  0.550199  1
  Fe  Fe83  1  0.135212  0.811773  0.523515  1
  Fe  Fe84  1  0.271450  0.084322  0.550171  1
  Fe  Fe85  1  0.225676  0.493006  0.590224  1
  Fe  Fe86  1  0.725669  0.492977  0.590345  1
  Fe  Fe87  1  0.657687  0.856974  0.576943  1
  Fe  Fe88  1  0.793855  0.129513  0.603494  1
  Fe  Fe89  1  0.157700  0.856980  0.576934  1
  Fe  Fe90  1  0.589550  0.220656  0.563715  1
  Fe  Fe91  1  0.907612  0.356957  0.576945  1
  Fe  Fe92  1  0.407755  0.356954  0.576950  1
  Fe  Fe93  1  0.339596  0.720733  0.563701  1
  Fe  Fe94  1  0.475714  0.993079  0.590332  1
  Fe  Fe95  1  0.839449  0.720423  0.563467  1
  Fe  Fe96  1  0.975804  0.993249  0.590239  1
  Fe  Fe97  1  0.929987  0.402176  0.630343  1
  Fe  Fe98  1  0.430374  0.402172  0.630346  1
  Fe  Fe99  1  0.362244  0.766251  0.617346  1
  Fe  Fe100  1  0.497732  0.037346  0.643791  1
  Fe  Fe101  1  0.861783  0.765326  0.616681  1
  Fe  Fe102  1  0.293949  0.129501  0.603484  1
  Fe  Fe103  1  0.611988  0.265740  0.617384  1
  Fe  Fe104  1  0.112209  0.266166  0.617212  1
  Fe  Fe105  1  0.044122  0.629408  0.603494  1
  Fe  Fe106  1  0.180289  0.902322  0.630388  1
  Fe  Fe107  1  0.543579  0.629401  0.603498  1
  Fe  Fe108  1  0.680212  0.902320  0.630391  1
  Fe  Fe109  1  0.633658  0.309297  0.671537  1
  Fe  Fe110  1  0.135048  0.312066  0.671098  1
  Fe  Fe111  1  0.067099  0.675019  0.656631  1
  Fe  Fe112  1  0.199385  0.948437  0.683848  1
  Fe  Fe113  1  0.565984  0.675015  0.656632  1
  Fe  Fe114  1  0.998326  0.038524  0.643573  1
  Fe  Fe115  1  0.316637  0.174682  0.656564  1
  Fe  Fe116  1  0.816119  0.174697  0.656566  1
  Fe  Fe117  1  0.747935  0.537731  0.643850  1
  Fe  Fe118  1  0.883548  0.809106  0.669627  1
  Fe  Fe119  1  0.248187  0.538245  0.643488  1
  Fe  Fe120  1  0.384125  0.810248  0.671549  1
  Fe  Fe121  1  0.340779  0.220392  0.709173  1
  Fe  Fe122  1  0.837269  0.220393  0.709175  1
  Fe  Fe123  1  0.771392  0.584872  0.697521  1
  Fe  Fe124  1  0.906080  0.854575  0.721898  1
  Fe  Fe125  1  0.266631  0.575325  0.696763  1
  Fe  Fe126  1  0.706998  0.948458  0.683845  1
  Fe  Fe127  1  0.021444  0.085042  0.696628  1
  Fe  Fe128  1  0.517156  0.076469  0.697018  1
  Fe  Fe129  1  0.455925  0.449518  0.683350  1
  Fe  Fe130  1  0.583012  0.719674  0.709513  1
  Fe  Fe131  1  0.951601  0.449518  0.683348  1
  Fe  Fe132  1  0.094403  0.719636  0.709514  1
