# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91313435
_cell_length_b   13.47351974
_cell_length_c   46.13495996
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.39012775
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe192
_cell_volume   5226.15436218
_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  0.687013  0.538766  0.286453  1
  Fe  Fe2  1  0.187013  0.538766  0.286453  1
  Fe  Fe3  1  0.113365  0.875043  0.278534  1
  Fe  Fe4  1  0.267496  0.195387  0.295145  1
  Fe  Fe5  1  0.613365  0.875043  0.278534  1
  Fe  Fe6  1  0.767496  0.195387  0.295145  1
  Fe  Fe7  1  0.935693  0.695531  0.295168  1
  Fe  Fe8  1  0.435693  0.695531  0.295168  1
  Fe  Fe9  1  0.359875  0.038952  0.286446  1
  Fe  Fe10  1  0.769077  0.374754  0.278571  1
  Fe  Fe11  1  0.859875  0.038952  0.286446  1
  Fe  Fe12  1  0.269077  0.374754  0.278571  1
  Fe  Fe13  1  0.429026  0.517107  0.314584  1
  Fe  Fe14  1  0.929026  0.517107  0.314584  1
  Fe  Fe15  1  0.851688  0.855912  0.305006  1
  Fe  Fe16  1  0.008256  0.176186  0.323806  1
  Fe  Fe17  1  0.351688  0.855912  0.305006  1
  Fe  Fe18  1  0.508256  0.176186  0.323806  1
  Fe  Fe19  1  0.675751  0.676148  0.323813  1
  Fe  Fe20  1  0.175751  0.676148  0.323813  1
  Fe  Fe21  1  0.095881  0.017094  0.314607  1
  Fe  Fe22  1  0.511811  0.355910  0.305053  1
  Fe  Fe23  1  0.595881  0.017094  0.314607  1
  Fe  Fe24  1  0.011811  0.355910  0.305053  1
  Fe  Fe25  1  0.167013  0.495220  0.343003  1
  Fe  Fe26  1  0.667013  0.495220  0.343003  1
  Fe  Fe27  1  0.589733  0.835085  0.333706  1
  Fe  Fe28  1  0.747256  0.154696  0.352101  1
  Fe  Fe29  1  0.089733  0.835085  0.333706  1
  Fe  Fe30  1  0.247256  0.154696  0.352101  1
  Fe  Fe31  1  0.415282  0.654697  0.352110  1
  Fe  Fe32  1  0.915282  0.654697  0.352110  1
  Fe  Fe33  1  0.836043  0.995236  0.343002  1
  Fe  Fe34  1  0.253151  0.335106  0.333733  1
  Fe  Fe35  1  0.336043  0.995236  0.343002  1
  Fe  Fe36  1  0.753151  0.335106  0.333733  1
  Fe  Fe37  1  0.906467  0.474248  0.370499  1
  Fe  Fe38  1  0.406467  0.474248  0.370499  1
  Fe  Fe39  1  0.328190  0.814422  0.361253  1
  Fe  Fe40  1  0.486780  0.134060  0.379793  1
  Fe  Fe41  1  0.828190  0.814422  0.361253  1
  Fe  Fe42  1  0.986780  0.134060  0.379793  1
  Fe  Fe43  1  0.155133  0.634060  0.379802  1
  Fe  Fe44  1  0.655133  0.634060  0.379802  1
  Fe  Fe45  1  0.575619  0.974234  0.370500  1
  Fe  Fe46  1  0.994044  0.314426  0.361275  1
  Fe  Fe47  1  0.075619  0.974234  0.370500  1
  Fe  Fe48  1  0.494044  0.314426  0.361275  1
  Fe  Fe49  1  0.645904  0.453337  0.398303  1
  Fe  Fe50  1  0.145904  0.453337  0.398303  1
  Fe  Fe51  1  0.066962  0.793654  0.389045  1
  Fe  Fe52  1  0.226139  0.113035  0.407546  1
  Fe  Fe53  1  0.566962  0.793654  0.389045  1
  Fe  Fe54  1  0.726139  0.113035  0.407546  1
  Fe  Fe55  1  0.894763  0.613042  0.407555  1
  Fe  Fe56  1  0.394763  0.613042  0.407555  1
  Fe  Fe57  1  0.315301  0.953334  0.398303  1
  Fe  Fe58  1  0.734541  0.293654  0.389060  1
  Fe  Fe59  1  0.815301  0.953334  0.398303  1
  Fe  Fe60  1  0.234541  0.293654  0.389060  1
  Fe  Fe61  1  0.385630  0.432518  0.426018  1
  Fe  Fe62  1  0.885630  0.432518  0.426018  1
  Fe  Fe63  1  0.806243  0.772793  0.416786  1
  Fe  Fe64  1  0.965754  0.092242  0.435269  1
  Fe  Fe65  1  0.306243  0.772793  0.416786  1
  Fe  Fe66  1  0.465754  0.092242  0.435269  1
  Fe  Fe67  1  0.634369  0.592246  0.435278  1
  Fe  Fe68  1  0.134369  0.592246  0.435278  1
  Fe  Fe69  1  0.054768  0.932515  0.426021  1
  Fe  Fe70  1  0.474415  0.272789  0.416797  1
  Fe  Fe71  1  0.554768  0.932515  0.426021  1
  Fe  Fe72  1  0.974415  0.272789  0.416797  1
  Fe  Fe73  1  0.125298  0.411694  0.453753  1
  Fe  Fe74  1  0.625298  0.411694  0.453753  1
  Fe  Fe75  1  0.545701  0.751974  0.444511  1
  Fe  Fe76  1  0.705336  0.071410  0.462996  1
  Fe  Fe77  1  0.045701  0.751974  0.444511  1
  Fe  Fe78  1  0.205336  0.071410  0.462996  1
  Fe  Fe79  1  0.373969  0.571413  0.463005  1
  Fe  Fe80  1  0.873969  0.571413  0.463005  1
  Fe  Fe81  1  0.794291  0.911693  0.453757  1
  Fe  Fe82  1  0.214155  0.251970  0.444520  1
  Fe  Fe83  1  0.294291  0.911693  0.453757  1
  Fe  Fe84  1  0.714155  0.251970  0.444520  1
  Fe  Fe85  1  0.864922  0.390861  0.481485  1
  Fe  Fe86  1  0.364922  0.390861  0.481485  1
  Fe  Fe87  1  0.285234  0.731140  0.472244  1
  Fe  Fe88  1  0.444937  0.050585  0.490727  1
  Fe  Fe89  1  0.785234  0.731140  0.472244  1
  Fe  Fe90  1  0.944937  0.050585  0.490727  1
  Fe  Fe91  1  0.113556  0.550584  0.490735  1
  Fe  Fe92  1  0.613556  0.550584  0.490735  1
  Fe  Fe93  1  0.533846  0.890862  0.481490  1
  Fe  Fe94  1  0.953805  0.231137  0.472252  1
  Fe  Fe95  1  0.033846  0.890862  0.481490  1
  Fe  Fe96  1  0.453805  0.231137  0.472252  1
  Fe  Fe97  1  0.604514  0.370034  0.509216  1
  Fe  Fe98  1  0.104514  0.370034  0.509216  1
  Fe  Fe99  1  0.024805  0.710312  0.499971  1
  Fe  Fe100  1  0.184555  0.029759  0.518454  1
  Fe  Fe101  1  0.524805  0.710312  0.499971  1
  Fe  Fe102  1  0.684555  0.029759  0.518454  1
  Fe  Fe103  1  0.853126  0.529757  0.518462  1
  Fe  Fe104  1  0.353126  0.529757  0.518462  1
  Fe  Fe105  1  0.273438  0.870035  0.509221  1
  Fe  Fe106  1  0.693423  0.210312  0.499979  1
  Fe  Fe107  1  0.773438  0.870035  0.509221  1
  Fe  Fe108  1  0.193423  0.210312  0.499979  1
  Fe  Fe109  1  0.344070  0.349203  0.536949  1
  Fe  Fe110  1  0.844070  0.349203  0.536949  1
  Fe  Fe111  1  0.764391  0.689483  0.527701  1
  Fe  Fe112  1  0.924205  0.008927  0.546186  1
  Fe  Fe113  1  0.264391  0.689483  0.527701  1
  Fe  Fe114  1  0.424205  0.008927  0.546186  1
  Fe  Fe115  1  0.592659  0.508923  0.546195  1
  Fe  Fe116  1  0.092659  0.508923  0.546195  1
  Fe  Fe117  1  0.013063  0.849202  0.536953  1
  Fe  Fe118  1  0.433025  0.189486  0.527710  1
  Fe  Fe119  1  0.513063  0.849202  0.536953  1
  Fe  Fe120  1  0.933025  0.189486  0.527710  1
  Fe  Fe121  1  0.083592  0.328382  0.564685  1
  Fe  Fe122  1  0.583592  0.328382  0.564685  1
  Fe  Fe123  1  0.503992  0.668650  0.555428  1
  Fe  Fe124  1  0.663945  0.988107  0.573909  1
  Fe  Fe125  1  1.003992  0.668650  0.555428  1
  Fe  Fe126  1  0.163945  0.988107  0.573909  1
  Fe  Fe127  1  0.332117  0.488103  0.573920  1
  Fe  Fe128  1  0.832117  0.488103  0.573920  1
  Fe  Fe129  1  0.752730  0.828378  0.564687  1
  Fe  Fe130  1  0.172607  0.168655  0.555437  1
  Fe  Fe131  1  0.252730  0.828378  0.564687  1
  Fe  Fe132  1  0.672607  0.168655  0.555437  1
  Fe  Fe133  1  0.823060  0.307562  0.592403  1
  Fe  Fe134  1  0.323060  0.307562  0.592403  1
  Fe  Fe135  1  0.243598  0.647854  0.583151  1
  Fe  Fe136  1  0.403819  0.967243  0.601646  1
  Fe  Fe137  1  0.743598  0.647854  0.583151  1
  Fe  Fe138  1  0.903819  0.967243  0.601646  1
  Fe  Fe139  1  0.071398  0.467242  0.601661  1
  Fe  Fe140  1  0.571398  0.467242  0.601661  1
  Fe  Fe141  1  0.492456  0.807559  0.592403  1
  Fe  Fe142  1  0.912222  0.147861  0.583160  1
  Fe  Fe143  1  0.992456  0.807559  0.592403  1
  Fe  Fe144  1  0.412222  0.147861  0.583160  1
  Fe  Fe145  1  0.562742  0.286662  0.620206  1
  Fe  Fe146  1  0.062742  0.286662  0.620206  1
  Fe  Fe147  1  0.983228  0.626836  0.610904  1
  Fe  Fe148  1  0.144317  0.946470  0.629431  1
  Fe  Fe149  1  0.483228  0.626836  0.610904  1
  Fe  Fe150  1  0.644317  0.946470  0.629431  1
  Fe  Fe151  1  0.810170  0.446474  0.629453  1
  Fe  Fe152  1  0.310170  0.446474  0.629453  1
  Fe  Fe153  1  0.231894  0.786648  0.620207  1
  Fe  Fe154  1  0.651581  0.126836  0.610913  1
  Fe  Fe155  1  0.731894  0.786648  0.620207  1
  Fe  Fe156  1  0.151581  0.126836  0.610913  1
  Fe  Fe157  1  0.302318  0.265661  0.647704  1
  Fe  Fe158  1  0.802318  0.265661  0.647704  1
  Fe  Fe159  1  0.723079  0.606199  0.638596  1
  Fe  Fe160  1  0.885209  0.925790  0.656973  1
  Fe  Fe161  1  0.223079  0.606199  0.638596  1
  Fe  Fe162  1  0.385209  0.925790  0.656973  1
  Fe  Fe163  1  0.548627  0.425812  0.657000  1
  Fe  Fe164  1  0.048627  0.425812  0.657000  1
  Fe  Fe165  1  0.971348  0.765676  0.647703  1
  Fe  Fe166  1  0.391104  0.106200  0.638605  1
  Fe  Fe167  1  0.471348  0.765676  0.647703  1
  Fe  Fe168  1  0.891104  0.106200  0.638605  1
  Fe  Fe169  1  0.042479  0.243802  0.676099  1
  Fe  Fe170  1  0.542479  0.243802  0.676099  1
  Fe  Fe171  1  0.462609  0.584748  0.666893  1
  Fe  Fe172  1  0.626550  0.904987  0.685653  1
  Fe  Fe173  1  0.962609  0.584748  0.666893  1
  Fe  Fe174  1  0.126550  0.904987  0.685653  1
  Fe  Fe175  1  0.286672  0.404985  0.685700  1
  Fe  Fe176  1  0.786672  0.404985  0.685700  1
  Fe  Fe177  1  0.709334  0.743789  0.676122  1
  Fe  Fe178  1  0.130104  0.084710  0.666899  1
  Fe  Fe179  1  0.209334  0.743789  0.676122  1
  Fe  Fe180  1  0.630104  0.084710  0.666899  1
  Fe  Fe181  1  0.778486  0.221944  0.704260  1
  Fe  Fe182  1  0.278486  0.221944  0.704260  1
  Fe  Fe183  1  0.202668  0.565365  0.695538  1
  Fe  Fe184  1  0.369283  0.886142  0.712135  1
  Fe  Fe185  1  0.702668  0.565365  0.695538  1
  Fe  Fe186  1  0.869283  0.886142  0.712135  1
  Fe  Fe187  1  0.024996  0.385853  0.712172  1
  Fe  Fe188  1  0.524996  0.385853  0.712172  1
  Fe  Fe189  1  0.451348  0.722130  0.704253  1
  Fe  Fe190  1  0.870864  0.065510  0.695561  1
  Fe  Fe191  1  0.951348  0.722130  0.704253  1
  Fe  Fe192  1  0.370864  0.065510  0.695561  1
