# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93735303
_cell_length_b   13.50888025
_cell_length_c   44.87772490
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.10806321
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe192
_cell_volume   5119.7205665
_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  0.628653  0.544737  0.296375  1
  Fe  Fe2  1  0.128653  0.544737  0.296375  1
  Fe  Fe3  1  0.199602  0.870926  0.301659  1
  Fe  Fe4  1  0.220596  0.201982  0.303455  1
  Fe  Fe5  1  0.699602  0.870926  0.301659  1
  Fe  Fe6  1  0.720596  0.201982  0.303455  1
  Fe  Fe7  1  0.973951  0.702335  0.303386  1
  Fe  Fe8  1  0.473951  0.702335  0.303386  1
  Fe  Fe9  1  0.406605  0.044511  0.296550  1
  Fe  Fe10  1  0.662896  0.370907  0.301570  1
  Fe  Fe11  1  0.906605  0.044511  0.296550  1
  Fe  Fe12  1  0.162896  0.370907  0.301570  1
  Fe  Fe13  1  0.371812  0.527029  0.321835  1
  Fe  Fe14  1  0.871812  0.527029  0.321835  1
  Fe  Fe15  1  0.934762  0.858863  0.326887  1
  Fe  Fe16  1  0.970513  0.189500  0.330051  1
  Fe  Fe17  1  0.434762  0.858863  0.326887  1
  Fe  Fe18  1  0.470513  0.189500  0.330051  1
  Fe  Fe19  1  0.711781  0.689689  0.329951  1
  Fe  Fe20  1  0.211781  0.689689  0.329951  1
  Fe  Fe21  1  0.145714  0.026865  0.322071  1
  Fe  Fe22  1  0.415680  0.358785  0.326760  1
  Fe  Fe23  1  0.645714  0.026865  0.322071  1
  Fe  Fe24  1  0.915680  0.358785  0.326760  1
  Fe  Fe25  1  0.123926  0.507413  0.349650  1
  Fe  Fe26  1  0.623926  0.507413  0.349650  1
  Fe  Fe27  1  0.658820  0.837900  0.354624  1
  Fe  Fe28  1  0.720128  0.169304  0.358135  1
  Fe  Fe29  1  0.158820  0.837900  0.354624  1
  Fe  Fe30  1  0.220128  0.169304  0.358135  1
  Fe  Fe31  1  0.442513  0.669406  0.358031  1
  Fe  Fe32  1  0.942513  0.669406  0.358031  1
  Fe  Fe33  1  0.873976  0.007341  0.349897  1
  Fe  Fe34  1  0.170912  0.337822  0.354521  1
  Fe  Fe35  1  0.373976  0.007341  0.349897  1
  Fe  Fe36  1  0.670912  0.337822  0.354521  1
  Fe  Fe37  1  0.876083  0.488169  0.377394  1
  Fe  Fe38  1  0.376083  0.488169  0.377394  1
  Fe  Fe39  1  0.387879  0.819748  0.381447  1
  Fe  Fe40  1  0.471200  0.150775  0.385632  1
  Fe  Fe41  1  0.887879  0.819748  0.381447  1
  Fe  Fe42  1  0.971200  0.150775  0.385632  1
  Fe  Fe43  1  0.173538  0.650524  0.385548  1
  Fe  Fe44  1  0.673538  0.650524  0.385548  1
  Fe  Fe45  1  0.602230  0.987958  0.377697  1
  Fe  Fe46  1  0.923911  0.319786  0.381344  1
  Fe  Fe47  1  0.102230  0.987958  0.377697  1
  Fe  Fe48  1  0.423911  0.319786  0.381344  1
  Fe  Fe49  1  0.629518  0.468097  0.405356  1
  Fe  Fe50  1  0.129518  0.468097  0.405356  1
  Fe  Fe51  1  0.116438  0.800642  0.408856  1
  Fe  Fe52  1  0.222948  0.131923  0.412935  1
  Fe  Fe53  1  0.616438  0.800642  0.408856  1
  Fe  Fe54  1  0.722948  0.131923  0.412935  1
  Fe  Fe55  1  0.903351  0.631693  0.412901  1
  Fe  Fe56  1  0.403351  0.631693  0.412901  1
  Fe  Fe57  1  0.329235  0.968144  0.405708  1
  Fe  Fe58  1  0.676804  0.300741  0.408813  1
  Fe  Fe59  1  0.829235  0.968144  0.405708  1
  Fe  Fe60  1  0.176804  0.300741  0.408813  1
  Fe  Fe61  1  0.381907  0.449031  0.433548  1
  Fe  Fe62  1  0.881907  0.449031  0.433548  1
  Fe  Fe63  1  0.846880  0.781420  0.435779  1
  Fe  Fe64  1  0.971962  0.112300  0.439753  1
  Fe  Fe65  1  0.346880  0.781420  0.435779  1
  Fe  Fe66  1  0.471962  0.112300  0.439753  1
  Fe  Fe67  1  0.634754  0.611967  0.439768  1
  Fe  Fe68  1  0.134754  0.611967  0.439768  1
  Fe  Fe69  1  0.058704  0.949029  0.433972  1
  Fe  Fe70  1  0.427695  0.281632  0.435786  1
  Fe  Fe71  1  0.558704  0.949029  0.433972  1
  Fe  Fe72  1  0.927695  0.281632  0.435786  1
  Fe  Fe73  1  0.129691  0.427997  0.461807  1
  Fe  Fe74  1  0.629691  0.427997  0.461807  1
  Fe  Fe75  1  0.577817  0.760710  0.462614  1
  Fe  Fe76  1  0.719616  0.091613  0.466399  1
  Fe  Fe77  1  0.077817  0.760710  0.462614  1
  Fe  Fe78  1  0.219616  0.091613  0.466399  1
  Fe  Fe79  1  0.366784  0.591406  0.466456  1
  Fe  Fe80  1  0.866784  0.591406  0.466456  1
  Fe  Fe81  1  0.791056  0.927623  0.462163  1
  Fe  Fe82  1  0.176454  0.260915  0.462669  1
  Fe  Fe83  1  0.291056  0.927623  0.462163  1
  Fe  Fe84  1  0.676454  0.260915  0.462669  1
  Fe  Fe85  1  0.872010  0.404773  0.489908  1
  Fe  Fe86  1  0.372010  0.404773  0.489908  1
  Fe  Fe87  1  0.308632  0.738703  0.489139  1
  Fe  Fe88  1  0.466412  0.069058  0.492679  1
  Fe  Fe89  1  0.808632  0.738703  0.489139  1
  Fe  Fe90  1  0.966412  0.069058  0.492679  1
  Fe  Fe91  1  0.097844  0.569138  0.492796  1
  Fe  Fe92  1  0.597844  0.569138  0.492796  1
  Fe  Fe93  1  0.526494  0.904201  0.490258  1
  Fe  Fe94  1  0.923819  0.238838  0.489225  1
  Fe  Fe95  1  0.026494  0.904201  0.490258  1
  Fe  Fe96  1  0.423819  0.238838  0.489225  1
  Fe  Fe97  1  0.610359  0.380616  0.518033  1
  Fe  Fe98  1  0.110359  0.380616  0.518033  1
  Fe  Fe99  1  0.039009  0.715679  0.515496  1
  Fe  Fe100  1  0.213034  0.045978  0.519067  1
  Fe  Fe101  1  0.539009  0.715679  0.515496  1
  Fe  Fe102  1  0.713034  0.045978  0.519067  1
  Fe  Fe103  1  0.828221  0.546114  0.519152  1
  Fe  Fe104  1  0.328221  0.546114  0.519152  1
  Fe  Fe105  1  0.264843  0.880044  0.518383  1
  Fe  Fe106  1  0.670441  0.215759  0.515612  1
  Fe  Fe107  1  0.764843  0.880044  0.518383  1
  Fe  Fe108  1  0.170441  0.215759  0.515612  1
  Fe  Fe109  1  0.345797  0.357194  0.546128  1
  Fe  Fe110  1  0.845797  0.357194  0.546128  1
  Fe  Fe111  1  0.770070  0.693411  0.541835  1
  Fe  Fe112  1  0.960400  0.023902  0.545623  1
  Fe  Fe113  1  0.270070  0.693411  0.541835  1
  Fe  Fe114  1  0.460400  0.023902  0.545623  1
  Fe  Fe115  1  0.559036  0.524107  0.545677  1
  Fe  Fe116  1  0.059036  0.524107  0.545677  1
  Fe  Fe117  1  0.007162  0.856820  0.546485  1
  Fe  Fe118  1  0.417238  0.193204  0.541892  1
  Fe  Fe119  1  0.507162  0.856820  0.546485  1
  Fe  Fe120  1  0.917238  0.193204  0.541892  1
  Fe  Fe121  1  0.078150  0.335788  0.574320  1
  Fe  Fe122  1  0.578150  0.335788  0.574320  1
  Fe  Fe123  1  0.502100  0.672850  0.568523  1
  Fe  Fe124  1  0.709158  0.003185  0.572506  1
  Fe  Fe125  1  0.002100  0.672850  0.568523  1
  Fe  Fe126  1  0.209158  0.003185  0.572506  1
  Fe  Fe127  1  0.289974  0.503396  0.572512  1
  Fe  Fe128  1  0.789974  0.503396  0.572512  1
  Fe  Fe129  1  0.754947  0.835785  0.574743  1
  Fe  Fe130  1  0.164891  0.172517  0.568539  1
  Fe  Fe131  1  0.254947  0.835785  0.574743  1
  Fe  Fe132  1  0.664891  0.172517  0.568539  1
  Fe  Fe133  1  0.807618  0.316672  0.602584  1
  Fe  Fe134  1  0.307618  0.316672  0.602584  1
  Fe  Fe135  1  0.233503  0.653124  0.595390  1
  Fe  Fe136  1  0.460050  0.984076  0.599479  1
  Fe  Fe137  1  0.733503  0.653124  0.595390  1
  Fe  Fe138  1  0.960050  0.984076  0.599479  1
  Fe  Fe139  1  0.020415  0.484175  0.599436  1
  Fe  Fe140  1  0.520415  0.484175  0.599436  1
  Fe  Fe141  1  0.507335  0.816720  0.602936  1
  Fe  Fe142  1  0.913905  0.152894  0.595356  1
  Fe  Fe143  1  0.007335  0.816720  0.602936  1
  Fe  Fe144  1  0.413905  0.152894  0.595356  1
  Fe  Fe145  1  0.534624  0.296859  0.630594  1
  Fe  Fe146  1  0.034624  0.296859  0.630594  1
  Fe  Fe147  1  0.963316  0.634292  0.622743  1
  Fe  Fe148  1  0.212943  0.965031  0.626948  1
  Fe  Fe149  1  0.463316  0.634292  0.622743  1
  Fe  Fe150  1  0.712943  0.965031  0.626948  1
  Fe  Fe151  1  0.748975  0.465069  0.626844  1
  Fe  Fe152  1  0.248975  0.465069  0.626844  1
  Fe  Fe153  1  0.260770  0.796647  0.630898  1
  Fe  Fe154  1  0.665653  0.134042  0.622659  1
  Fe  Fe155  1  0.760770  0.796647  0.630898  1
  Fe  Fe156  1  0.165653  0.134042  0.622659  1
  Fe  Fe157  1  0.262877  0.277476  0.658394  1
  Fe  Fe158  1  0.762877  0.277476  0.658394  1
  Fe  Fe159  1  0.694341  0.615411  0.650261  1
  Fe  Fe160  1  0.965941  0.946995  0.653771  1
  Fe  Fe161  1  0.194341  0.615411  0.650261  1
  Fe  Fe162  1  0.465941  0.946995  0.653771  1
  Fe  Fe163  1  0.478033  0.446916  0.653668  1
  Fe  Fe164  1  0.978033  0.446916  0.653668  1
  Fe  Fe165  1  0.012927  0.777403  0.658642  1
  Fe  Fe166  1  0.416725  0.115513  0.650157  1
  Fe  Fe167  1  0.512927  0.777403  0.658642  1
  Fe  Fe168  1  0.916725  0.115513  0.650157  1
  Fe  Fe169  1  0.991139  0.257951  0.686221  1
  Fe  Fe170  1  0.491139  0.257951  0.686221  1
  Fe  Fe171  1  0.425072  0.595127  0.678340  1
  Fe  Fe172  1  0.721173  0.926031  0.681532  1
  Fe  Fe173  1  0.925072  0.595127  0.678340  1
  Fe  Fe174  1  0.221173  0.926031  0.681532  1
  Fe  Fe175  1  0.202091  0.425954  0.681405  1
  Fe  Fe176  1  0.702091  0.425954  0.681405  1
  Fe  Fe177  1  0.765041  0.757788  0.686456  1
  Fe  Fe178  1  0.166340  0.095317  0.678241  1
  Fe  Fe179  1  0.265041  0.757788  0.686456  1
  Fe  Fe180  1  0.666340  0.095317  0.678241  1
  Fe  Fe181  1  0.730249  0.240306  0.711741  1
  Fe  Fe182  1  0.230249  0.240306  0.711741  1
  Fe  Fe183  1  0.162902  0.582482  0.704905  1
  Fe  Fe184  1  0.473957  0.913909  0.706722  1
  Fe  Fe185  1  0.662902  0.582482  0.704905  1
  Fe  Fe186  1  0.973957  0.913909  0.706722  1
  Fe  Fe187  1  0.937252  0.413890  0.706632  1
  Fe  Fe188  1  0.437252  0.413890  0.706632  1
  Fe  Fe189  1  0.508200  0.740080  0.711916  1
  Fe  Fe190  1  0.916257  0.082835  0.704836  1
  Fe  Fe191  1  0.008200  0.740080  0.711916  1
  Fe  Fe192  1  0.416257  0.082835  0.704836  1
