# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.25755807
_cell_length_b   13.09532014
_cell_length_c   47.18815268
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe216
_cell_volume   5830.66039291
_cell_formula_units_Z   216
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  0.411048  0.145707  0.326601  1
  Fe  Fe2  1  0.911048  0.145707  0.326601  1
  Fe  Fe3  1  0.488593  0.490297  0.296481  1
  Fe  Fe4  1  0.543483  0.880638  0.285862  1
  Fe  Fe5  1  0.988593  0.490297  0.296481  1
  Fe  Fe6  1  0.043483  0.880638  0.285862  1
  Fe  Fe7  1  0.209307  0.298962  0.304584  1
  Fe  Fe8  1  0.709307  0.298962  0.304584  1
  Fe  Fe9  1  0.266570  0.684350  0.290093  1
  Fe  Fe10  1  0.320175  0.077477  0.284392  1
  Fe  Fe11  1  0.766570  0.684350  0.290093  1
  Fe  Fe12  1  0.820175  0.077477  0.284392  1
  Fe  Fe13  1  0.459307  0.298962  0.304584  1
  Fe  Fe14  1  0.959307  0.298962  0.304584  1
  Fe  Fe15  1  0.516570  0.684350  0.290093  1
  Fe  Fe16  1  0.570175  0.077477  0.284392  1
  Fe  Fe17  1  0.016570  0.684350  0.290093  1
  Fe  Fe18  1  0.070175  0.077477  0.284392  1
  Fe  Fe19  1  0.161048  0.145707  0.326601  1
  Fe  Fe20  1  0.661048  0.145707  0.326601  1
  Fe  Fe21  1  0.238593  0.490297  0.296481  1
  Fe  Fe22  1  0.293483  0.880638  0.285862  1
  Fe  Fe23  1  0.738593  0.490297  0.296481  1
  Fe  Fe24  1  0.793483  0.880638  0.285862  1
  Fe  Fe25  1  0.218330  0.030716  0.370528  1
  Fe  Fe26  1  0.718330  0.030716  0.370528  1
  Fe  Fe27  1  0.291925  0.383587  0.345389  1
  Fe  Fe28  1  0.352079  0.763194  0.331856  1
  Fe  Fe29  1  0.791925  0.383587  0.345389  1
  Fe  Fe30  1  0.852079  0.763194  0.331856  1
  Fe  Fe31  1  0.994124  0.229375  0.365863  1
  Fe  Fe32  1  0.494124  0.229375  0.365863  1
  Fe  Fe33  1  0.072252  0.572857  0.337756  1
  Fe  Fe34  1  0.131578  0.954315  0.328245  1
  Fe  Fe35  1  0.572252  0.572857  0.337756  1
  Fe  Fe36  1  0.631578  0.954315  0.328245  1
  Fe  Fe37  1  0.244124  0.229375  0.365863  1
  Fe  Fe38  1  0.744124  0.229375  0.365863  1
  Fe  Fe39  1  0.322252  0.572857  0.337756  1
  Fe  Fe40  1  0.381578  0.954315  0.328245  1
  Fe  Fe41  1  0.822252  0.572857  0.337756  1
  Fe  Fe42  1  0.881578  0.954315  0.328245  1
  Fe  Fe43  1  0.968330  0.030716  0.370528  1
  Fe  Fe44  1  0.468330  0.030716  0.370528  1
  Fe  Fe45  1  0.041925  0.383587  0.345389  1
  Fe  Fe46  1  0.102079  0.763194  0.331856  1
  Fe  Fe47  1  0.541925  0.383587  0.345389  1
  Fe  Fe48  1  0.602079  0.763194  0.331856  1
  Fe  Fe49  1  0.024634  0.917900  0.416283  1
  Fe  Fe50  1  0.524634  0.917900  0.416283  1
  Fe  Fe51  1  0.079002  0.309480  0.406004  1
  Fe  Fe52  1  0.157869  0.651519  0.379964  1
  Fe  Fe53  1  0.579002  0.309480  0.406004  1
  Fe  Fe54  1  0.657869  0.651519  0.379964  1
  Fe  Fe55  1  0.801755  0.113797  0.411047  1
  Fe  Fe56  1  0.301755  0.113797  0.411047  1
  Fe  Fe57  1  0.875797  0.465704  0.386817  1
  Fe  Fe58  1  0.938974  0.839307  0.374347  1
  Fe  Fe59  1  0.375797  0.465704  0.386817  1
  Fe  Fe60  1  0.438974  0.839307  0.374347  1
  Fe  Fe61  1  0.051755  0.113797  0.411047  1
  Fe  Fe62  1  0.551755  0.113797  0.411047  1
  Fe  Fe63  1  0.125797  0.465704  0.386817  1
  Fe  Fe64  1  0.188974  0.839307  0.374347  1
  Fe  Fe65  1  0.625797  0.465704  0.386817  1
  Fe  Fe66  1  0.688974  0.839307  0.374347  1
  Fe  Fe67  1  0.774634  0.917900  0.416283  1
  Fe  Fe68  1  0.274634  0.917900  0.416283  1
  Fe  Fe69  1  0.829002  0.309480  0.406004  1
  Fe  Fe70  1  0.907869  0.651519  0.379964  1
  Fe  Fe71  1  0.329002  0.309480  0.406004  1
  Fe  Fe72  1  0.407869  0.651519  0.379964  1
  Fe  Fe73  1  0.830114  0.806839  0.464655  1
  Fe  Fe74  1  0.330114  0.806839  0.464655  1
  Fe  Fe75  1  0.885914  0.195439  0.451919  1
  Fe  Fe76  1  0.960960  0.545292  0.429114  1
  Fe  Fe77  1  0.385914  0.195439  0.451919  1
  Fe  Fe78  1  0.460960  0.545292  0.429114  1
  Fe  Fe79  1  0.607963  1.001133  0.456960  1
  Fe  Fe80  1  0.107963  1.001133  0.456960  1
  Fe  Fe81  1  0.665106  0.387172  0.446476  1
  Fe  Fe82  1  0.744489  0.728161  0.422610  1
  Fe  Fe83  1  0.165106  0.387172  0.446476  1
  Fe  Fe84  1  0.244489  0.728161  0.422610  1
  Fe  Fe85  1  0.857963  1.001133  0.456960  1
  Fe  Fe86  1  0.357963  1.001133  0.456960  1
  Fe  Fe87  1  0.915106  0.387172  0.446476  1
  Fe  Fe88  1  0.994489  0.728161  0.422610  1
  Fe  Fe89  1  0.415106  0.387172  0.446476  1
  Fe  Fe90  1  0.494489  0.728161  0.422610  1
  Fe  Fe91  1  0.580114  0.806839  0.464655  1
  Fe  Fe92  1  0.080114  0.806839  0.464655  1
  Fe  Fe93  1  0.635914  0.195439  0.451919  1
  Fe  Fe94  1  0.710960  0.545292  0.429114  1
  Fe  Fe95  1  0.135914  0.195439  0.451919  1
  Fe  Fe96  1  0.210960  0.545292  0.429114  1
  Fe  Fe97  1  0.617512  0.732032  0.518667  1
  Fe  Fe98  1  0.117512  0.732032  0.518667  1
  Fe  Fe99  1  0.691437  0.084011  0.498065  1
  Fe  Fe100  1  0.755862  0.455584  0.487502  1
  Fe  Fe101  1  0.191437  0.084011  0.498065  1
  Fe  Fe102  1  0.255862  0.455584  0.487502  1
  Fe  Fe103  1  0.408353  0.900163  0.504229  1
  Fe  Fe104  1  0.908353  0.900163  0.504229  1
  Fe  Fe105  1  0.472778  0.271737  0.493667  1
  Fe  Fe106  1  0.546703  0.623715  0.473064  1
  Fe  Fe107  1  0.972778  0.271737  0.493667  1
  Fe  Fe108  1  0.046703  0.623715  0.473064  1
  Fe  Fe109  1  0.658353  0.900163  0.504229  1
  Fe  Fe110  1  0.158353  0.900163  0.504229  1
  Fe  Fe111  1  0.722778  0.271737  0.493667  1
  Fe  Fe112  1  0.796703  0.623715  0.473064  1
  Fe  Fe113  1  0.222778  0.271737  0.493667  1
  Fe  Fe114  1  0.296703  0.623715  0.473064  1
  Fe  Fe115  1  0.367512  0.732032  0.518667  1
  Fe  Fe116  1  0.867512  0.732032  0.518667  1
  Fe  Fe117  1  0.441437  0.084011  0.498065  1
  Fe  Fe118  1  0.505862  0.455584  0.487502  1
  Fe  Fe119  1  0.941437  0.084011  0.498065  1
  Fe  Fe120  1  0.005862  0.455584  0.487502  1
  Fe  Fe121  1  0.419725  0.627586  0.569121  1
  Fe  Fe122  1  0.919725  0.627586  0.569121  1
  Fe  Fe123  1  0.499108  0.968575  0.545255  1
  Fe  Fe124  1  0.556252  0.354614  0.534771  1
  Fe  Fe125  1  0.999108  0.968575  0.545255  1
  Fe  Fe126  1  0.056252  0.354614  0.534771  1
  Fe  Fe127  1  0.203255  0.810456  0.562617  1
  Fe  Fe128  1  0.703255  0.810456  0.562617  1
  Fe  Fe129  1  0.278301  0.160308  0.539812  1
  Fe  Fe130  1  0.334101  0.548908  0.527076  1
  Fe  Fe131  1  0.778301  0.160308  0.539812  1
  Fe  Fe132  1  0.834101  0.548908  0.527076  1
  Fe  Fe133  1  0.453255  0.810456  0.562617  1
  Fe  Fe134  1  0.953255  0.810456  0.562617  1
  Fe  Fe135  1  0.528301  0.160308  0.539812  1
  Fe  Fe136  1  0.584101  0.548908  0.527076  1
  Fe  Fe137  1  0.028301  0.160308  0.539812  1
  Fe  Fe138  1  0.084101  0.548908  0.527076  1
  Fe  Fe139  1  0.169725  0.627586  0.569121  1
  Fe  Fe140  1  0.669725  0.627586  0.569121  1
  Fe  Fe141  1  0.249108  0.968575  0.545255  1
  Fe  Fe142  1  0.306252  0.354614  0.534771  1
  Fe  Fe143  1  0.749108  0.968575  0.545255  1
  Fe  Fe144  1  0.806252  0.354614  0.534771  1
  Fe  Fe145  1  0.225241  0.516440  0.617384  1
  Fe  Fe146  1  0.725241  0.516440  0.617384  1
  Fe  Fe147  1  0.288417  0.890044  0.604915  1
  Fe  Fe148  1  0.362460  0.241950  0.580685  1
  Fe  Fe149  1  0.788417  0.890044  0.604915  1
  Fe  Fe150  1  0.862460  0.241950  0.580685  1
  Fe  Fe151  1  0.006346  0.704228  0.611767  1
  Fe  Fe152  1  0.506346  0.704228  0.611767  1
  Fe  Fe153  1  0.085213  0.046267  0.585728  1
  Fe  Fe154  1  0.139581  0.437847  0.575449  1
  Fe  Fe155  1  0.585213  0.046267  0.585728  1
  Fe  Fe156  1  0.639581  0.437847  0.575449  1
  Fe  Fe157  1  0.256346  0.704228  0.611767  1
  Fe  Fe158  1  0.756346  0.704228  0.611767  1
  Fe  Fe159  1  0.335213  0.046267  0.585728  1
  Fe  Fe160  1  0.389581  0.437847  0.575449  1
  Fe  Fe161  1  0.835213  0.046267  0.585728  1
  Fe  Fe162  1  0.889581  0.437847  0.575449  1
  Fe  Fe163  1  0.975241  0.516440  0.617384  1
  Fe  Fe164  1  0.475241  0.516440  0.617384  1
  Fe  Fe165  1  0.038417  0.890044  0.604915  1
  Fe  Fe166  1  0.112460  0.241950  0.580685  1
  Fe  Fe167  1  0.538417  0.890044  0.604915  1
  Fe  Fe168  1  0.612460  0.241950  0.580685  1
  Fe  Fe169  1  0.032637  0.401433  0.663486  1
  Fe  Fe170  1  0.532637  0.401433  0.663486  1
  Fe  Fe171  1  0.091963  0.782890  0.653975  1
  Fe  Fe172  1  0.170091  0.126372  0.625868  1
  Fe  Fe173  1  0.591963  0.782890  0.653975  1
  Fe  Fe174  1  0.670091  0.126372  0.625868  1
  Fe  Fe175  1  0.812135  0.592553  0.659875  1
  Fe  Fe176  1  0.312135  0.592553  0.659875  1
  Fe  Fe177  1  0.872290  0.972160  0.646342  1
  Fe  Fe178  1  0.945885  0.325031  0.621203  1
  Fe  Fe179  1  0.372290  0.972160  0.646342  1
  Fe  Fe180  1  0.445885  0.325031  0.621203  1
  Fe  Fe181  1  0.062135  0.592553  0.659875  1
  Fe  Fe182  1  0.562135  0.592553  0.659875  1
  Fe  Fe183  1  0.122290  0.972160  0.646342  1
  Fe  Fe184  1  0.195885  0.325031  0.621203  1
  Fe  Fe185  1  0.622290  0.972160  0.646342  1
  Fe  Fe186  1  0.695885  0.325031  0.621203  1
  Fe  Fe187  1  0.782637  0.401433  0.663486  1
  Fe  Fe188  1  0.282637  0.401433  0.663486  1
  Fe  Fe189  1  0.841963  0.782890  0.653975  1
  Fe  Fe190  1  0.920091  0.126372  0.625868  1
  Fe  Fe191  1  0.341963  0.782890  0.653975  1
  Fe  Fe192  1  0.420091  0.126372  0.625868  1
  Fe  Fe193  1  0.844040  0.278270  0.707339  1
  Fe  Fe194  1  0.344040  0.278270  0.707339  1
  Fe  Fe195  1  0.897645  0.671397  0.701638  1
  Fe  Fe196  1  0.954908  0.056785  0.687147  1
  Fe  Fe197  1  0.397645  0.671397  0.701638  1
  Fe  Fe198  1  0.454908  0.056785  0.687147  1
  Fe  Fe199  1  0.620731  0.475109  0.705869  1
  Fe  Fe200  1  0.120731  0.475109  0.705869  1
  Fe  Fe201  1  0.675622  0.865450  0.695250  1
  Fe  Fe202  1  0.753167  0.210041  0.665130  1
  Fe  Fe203  1  0.175622  0.865450  0.695250  1
  Fe  Fe204  1  0.253167  0.210041  0.665130  1
  Fe  Fe205  1  0.870731  0.475109  0.705869  1
  Fe  Fe206  1  0.370731  0.475109  0.705869  1
  Fe  Fe207  1  0.925622  0.865450  0.695250  1
  Fe  Fe208  1  0.003167  0.210041  0.665130  1
  Fe  Fe209  1  0.425622  0.865450  0.695250  1
  Fe  Fe210  1  0.503167  0.210041  0.665130  1
  Fe  Fe211  1  0.594040  0.278270  0.707339  1
  Fe  Fe212  1  0.094040  0.278270  0.707339  1
  Fe  Fe213  1  0.647645  0.671397  0.701638  1
  Fe  Fe214  1  0.704908  0.056785  0.687147  1
  Fe  Fe215  1  0.147645  0.671397  0.701638  1
  Fe  Fe216  1  0.204908  0.056785  0.687147  1
