# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81194987
_cell_length_b   13.50917980
_cell_length_c   46.53036081
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.65445679
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe192
_cell_volume   5216.36059625
_cell_formula_units_Z   192
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  0.658521  0.542973  0.286995  1
  Fe  Fe2  1  0.158521  0.542973  0.286995  1
  Fe  Fe3  1  0.084520  0.895260  0.278413  1
  Fe  Fe4  1  0.237205  0.199889  0.294786  1
  Fe  Fe5  1  0.584520  0.895260  0.278413  1
  Fe  Fe6  1  0.737205  0.199889  0.294786  1
  Fe  Fe7  1  0.987205  0.699889  0.294786  1
  Fe  Fe8  1  0.487205  0.699889  0.294786  1
  Fe  Fe9  1  0.408521  0.042973  0.286995  1
  Fe  Fe10  1  0.834520  0.395260  0.278413  1
  Fe  Fe11  1  0.908521  0.042973  0.286995  1
  Fe  Fe12  1  0.334520  0.395260  0.278413  1
  Fe  Fe13  1  0.397652  0.520618  0.315602  1
  Fe  Fe14  1  0.897652  0.520618  0.315602  1
  Fe  Fe15  1  0.815643  0.856659  0.303717  1
  Fe  Fe16  1  0.976844  0.178125  0.323921  1
  Fe  Fe17  1  0.315643  0.856659  0.303717  1
  Fe  Fe18  1  0.476844  0.178125  0.323921  1
  Fe  Fe19  1  0.726844  0.678125  0.323921  1
  Fe  Fe20  1  0.226844  0.678125  0.323921  1
  Fe  Fe21  1  0.147652  0.020618  0.315602  1
  Fe  Fe22  1  0.565643  0.356659  0.303717  1
  Fe  Fe23  1  0.647652  0.020618  0.315602  1
  Fe  Fe24  1  0.065643  0.356659  0.303717  1
  Fe  Fe25  1  0.134909  0.494528  0.341657  1
  Fe  Fe26  1  0.634909  0.494528  0.341657  1
  Fe  Fe27  1  0.555958  0.836372  0.332398  1
  Fe  Fe28  1  0.715683  0.155761  0.351630  1
  Fe  Fe29  1  0.055958  0.836372  0.332398  1
  Fe  Fe30  1  0.215683  0.155761  0.351630  1
  Fe  Fe31  1  0.465683  0.655761  0.351630  1
  Fe  Fe32  1  0.965683  0.655761  0.351630  1
  Fe  Fe33  1  0.884909  0.994528  0.341657  1
  Fe  Fe34  1  0.305958  0.336372  0.332398  1
  Fe  Fe35  1  0.384909  0.994528  0.341657  1
  Fe  Fe36  1  0.805958  0.336372  0.332398  1
  Fe  Fe37  1  0.874306  0.472276  0.369916  1
  Fe  Fe38  1  0.374306  0.472276  0.369916  1
  Fe  Fe39  1  0.295016  0.813922  0.360671  1
  Fe  Fe40  1  0.453750  0.130987  0.379215  1
  Fe  Fe41  1  0.795016  0.813922  0.360671  1
  Fe  Fe42  1  0.953750  0.130987  0.379215  1
  Fe  Fe43  1  0.203750  0.630987  0.379215  1
  Fe  Fe44  1  0.703750  0.630987  0.379215  1
  Fe  Fe45  1  0.624306  0.972276  0.369916  1
  Fe  Fe46  1  0.045016  0.313922  0.360671  1
  Fe  Fe47  1  0.124306  0.972276  0.369916  1
  Fe  Fe48  1  0.545016  0.313922  0.360671  1
  Fe  Fe49  1  0.613138  0.449095  0.397978  1
  Fe  Fe50  1  0.113138  0.449095  0.397978  1
  Fe  Fe51  1  0.033655  0.790455  0.388770  1
  Fe  Fe52  1  0.192612  0.107783  0.407278  1
  Fe  Fe53  1  0.533655  0.790455  0.388770  1
  Fe  Fe54  1  0.692612  0.107783  0.407278  1
  Fe  Fe55  1  0.942612  0.607783  0.407278  1
  Fe  Fe56  1  0.442612  0.607783  0.407278  1
  Fe  Fe57  1  0.363138  0.949095  0.397978  1
  Fe  Fe58  1  0.783655  0.290455  0.388770  1
  Fe  Fe59  1  0.863138  0.949095  0.397978  1
  Fe  Fe60  1  0.283655  0.290455  0.388770  1
  Fe  Fe61  1  0.351822  0.425624  0.426034  1
  Fe  Fe62  1  0.851822  0.425624  0.426034  1
  Fe  Fe63  1  0.772152  0.766609  0.416603  1
  Fe  Fe64  1  0.931357  0.084394  0.435317  1
  Fe  Fe65  1  0.272152  0.766609  0.416603  1
  Fe  Fe66  1  0.431357  0.084394  0.435317  1
  Fe  Fe67  1  0.681357  0.584394  0.435317  1
  Fe  Fe68  1  0.181357  0.584394  0.435317  1
  Fe  Fe69  1  0.101822  0.925624  0.426034  1
  Fe  Fe70  1  0.522152  0.266609  0.416603  1
  Fe  Fe71  1  0.601822  0.925624  0.426034  1
  Fe  Fe72  1  0.022152  0.266609  0.416603  1
  Fe  Fe73  1  0.090443  0.402009  0.453971  1
  Fe  Fe74  1  0.590443  0.402009  0.453971  1
  Fe  Fe75  1  0.510885  0.743166  0.444646  1
  Fe  Fe76  1  0.670046  0.060911  0.463341  1
  Fe  Fe77  1  1.010885  0.743166  0.444646  1
  Fe  Fe78  1  0.170046  0.060911  0.463341  1
  Fe  Fe79  1  0.420046  0.560911  0.463341  1
  Fe  Fe80  1  0.920046  0.560911  0.463341  1
  Fe  Fe81  1  0.840443  0.902009  0.453971  1
  Fe  Fe82  1  0.260885  0.243166  0.444646  1
  Fe  Fe83  1  0.340443  0.902009  0.453971  1
  Fe  Fe84  1  0.760885  0.243166  0.444646  1
  Fe  Fe85  1  0.829147  0.378534  0.481993  1
  Fe  Fe86  1  0.329147  0.378534  0.481993  1
  Fe  Fe87  1  0.249599  0.719728  0.472655  1
  Fe  Fe88  1  0.408706  0.037368  0.491317  1
  Fe  Fe89  1  0.749599  0.719728  0.472655  1
  Fe  Fe90  1  0.908706  0.037368  0.491317  1
  Fe  Fe91  1  0.158706  0.537368  0.491317  1
  Fe  Fe92  1  0.658706  0.537368  0.491317  1
  Fe  Fe93  1  0.579147  0.878534  0.481993  1
  Fe  Fe94  1  0.999599  0.219728  0.472655  1
  Fe  Fe95  1  0.079147  0.878534  0.481993  1
  Fe  Fe96  1  0.499599  0.219728  0.472655  1
  Fe  Fe97  1  0.567850  0.355074  0.509998  1
  Fe  Fe98  1  0.067850  0.355074  0.509998  1
  Fe  Fe99  1  0.988291  0.696240  0.500674  1
  Fe  Fe100  1  0.147398  0.013880  0.519336  1
  Fe  Fe101  1  0.488291  0.696240  0.500674  1
  Fe  Fe102  1  0.647398  0.013880  0.519336  1
  Fe  Fe103  1  0.897398  0.513880  0.519336  1
  Fe  Fe104  1  0.397398  0.513880  0.519336  1
  Fe  Fe105  1  0.317850  0.855074  0.509998  1
  Fe  Fe106  1  0.738291  0.196240  0.500674  1
  Fe  Fe107  1  0.817850  0.855074  0.509998  1
  Fe  Fe108  1  0.238291  0.196240  0.500674  1
  Fe  Fe109  1  0.306554  0.331599  0.538020  1
  Fe  Fe110  1  0.806554  0.331599  0.538020  1
  Fe  Fe111  1  0.726951  0.672696  0.528650  1
  Fe  Fe112  1  0.886111  0.990441  0.547345  1
  Fe  Fe113  1  0.226951  0.672696  0.528650  1
  Fe  Fe114  1  0.386111  0.990441  0.547345  1
  Fe  Fe115  1  0.636111  0.490441  0.547345  1
  Fe  Fe116  1  0.136111  0.490441  0.547345  1
  Fe  Fe117  1  0.056554  0.831599  0.538020  1
  Fe  Fe118  1  0.476951  0.172696  0.528650  1
  Fe  Fe119  1  0.556554  0.831599  0.538020  1
  Fe  Fe120  1  0.976951  0.172696  0.528650  1
  Fe  Fe121  1  0.045175  0.307984  0.565957  1
  Fe  Fe122  1  0.545175  0.307984  0.565957  1
  Fe  Fe123  1  0.465639  0.649213  0.556674  1
  Fe  Fe124  1  0.624844  0.966998  0.575388  1
  Fe  Fe125  1  0.965639  0.649213  0.556674  1
  Fe  Fe126  1  0.124844  0.966998  0.575388  1
  Fe  Fe127  1  0.374844  0.466998  0.575388  1
  Fe  Fe128  1  0.874844  0.466998  0.575388  1
  Fe  Fe129  1  0.795175  0.807984  0.565957  1
  Fe  Fe130  1  0.215639  0.149213  0.556674  1
  Fe  Fe131  1  0.295175  0.807984  0.565957  1
  Fe  Fe132  1  0.715639  0.149213  0.556674  1
  Fe  Fe133  1  0.783859  0.284513  0.594013  1
  Fe  Fe134  1  0.283859  0.284513  0.594013  1
  Fe  Fe135  1  0.204384  0.625824  0.584713  1
  Fe  Fe136  1  0.363341  0.943152  0.603221  1
  Fe  Fe137  1  0.704384  0.625824  0.584713  1
  Fe  Fe138  1  0.863341  0.943152  0.603221  1
  Fe  Fe139  1  0.113341  0.443152  0.603221  1
  Fe  Fe140  1  0.613341  0.443152  0.603221  1
  Fe  Fe141  1  0.533859  0.784513  0.594013  1
  Fe  Fe142  1  0.954384  0.125824  0.584713  1
  Fe  Fe143  1  0.033859  0.784513  0.594013  1
  Fe  Fe144  1  0.454384  0.125824  0.584713  1
  Fe  Fe145  1  0.522691  0.261331  0.622075  1
  Fe  Fe146  1  0.022691  0.261331  0.622075  1
  Fe  Fe147  1  0.943247  0.602621  0.612776  1
  Fe  Fe148  1  0.101980  0.919685  0.631320  1
  Fe  Fe149  1  0.443247  0.602621  0.612776  1
  Fe  Fe150  1  0.601980  0.919685  0.631320  1
  Fe  Fe151  1  0.851980  0.419685  0.631320  1
  Fe  Fe152  1  0.351980  0.419685  0.631320  1
  Fe  Fe153  1  0.272691  0.761331  0.622075  1
  Fe  Fe154  1  0.693247  0.102621  0.612776  1
  Fe  Fe155  1  0.772691  0.761331  0.622075  1
  Fe  Fe156  1  0.193247  0.102621  0.612776  1
  Fe  Fe157  1  0.262088  0.239080  0.650334  1
  Fe  Fe158  1  0.762088  0.239080  0.650334  1
  Fe  Fe159  1  0.681314  0.577847  0.640361  1
  Fe  Fe160  1  0.841038  0.897236  0.659593  1
  Fe  Fe161  1  0.181314  0.577847  0.640361  1
  Fe  Fe162  1  0.341038  0.897236  0.659593  1
  Fe  Fe163  1  0.591038  0.397236  0.659593  1
  Fe  Fe164  1  0.091038  0.397236  0.659593  1
  Fe  Fe165  1  1.012088  0.739080  0.650334  1
  Fe  Fe166  1  0.431314  0.077847  0.640361  1
  Fe  Fe167  1  0.512088  0.739080  0.650334  1
  Fe  Fe168  1  0.931314  0.077847  0.640361  1
  Fe  Fe169  1  0.999345  0.212990  0.676389  1
  Fe  Fe170  1  0.499345  0.212990  0.676389  1
  Fe  Fe171  1  0.420152  0.555482  0.668070  1
  Fe  Fe172  1  0.581354  0.876948  0.688274  1
  Fe  Fe173  1  0.920152  0.555482  0.668070  1
  Fe  Fe174  1  0.081354  0.876948  0.688274  1
  Fe  Fe175  1  0.331354  0.376948  0.688274  1
  Fe  Fe176  1  0.831354  0.376948  0.688274  1
  Fe  Fe177  1  0.749345  0.712990  0.676389  1
  Fe  Fe178  1  0.170152  0.055482  0.668070  1
  Fe  Fe179  1  0.249345  0.712990  0.676389  1
  Fe  Fe180  1  0.670152  0.055482  0.668070  1
  Fe  Fe181  1  0.738476  0.190634  0.704996  1
  Fe  Fe182  1  0.238476  0.190634  0.704996  1
  Fe  Fe183  1  0.159791  0.533718  0.697205  1
  Fe  Fe184  1  0.312477  0.838348  0.713578  1
  Fe  Fe185  1  0.659791  0.533718  0.697205  1
  Fe  Fe186  1  0.812477  0.838348  0.713578  1
  Fe  Fe187  1  0.062477  0.338348  0.713578  1
  Fe  Fe188  1  0.562477  0.338348  0.713578  1
  Fe  Fe189  1  0.488476  0.690634  0.704996  1
  Fe  Fe190  1  0.909791  0.033718  0.697205  1
  Fe  Fe191  1  0.988476  0.690634  0.704996  1
  Fe  Fe192  1  0.409791  0.033718  0.697205  1
