# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.80010116
_cell_length_b   13.51277293
_cell_length_c   46.59668594
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.65445680
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe192
_cell_volume   5218.15961048
_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  0.659342  0.542875  0.286495  1
  Fe  Fe2  1  0.159342  0.542875  0.286495  1
  Fe  Fe3  1  0.085343  0.895182  0.277902  1
  Fe  Fe4  1  0.238033  0.199806  0.294299  1
  Fe  Fe5  1  0.585343  0.895182  0.277902  1
  Fe  Fe6  1  0.738033  0.199806  0.294299  1
  Fe  Fe7  1  0.988033  0.699806  0.294299  1
  Fe  Fe8  1  0.488033  0.699806  0.294299  1
  Fe  Fe9  1  0.409342  0.042875  0.286495  1
  Fe  Fe10  1  0.835343  0.395182  0.277902  1
  Fe  Fe11  1  0.909342  0.042875  0.286495  1
  Fe  Fe12  1  0.335343  0.395182  0.277902  1
  Fe  Fe13  1  0.398424  0.520490  0.315062  1
  Fe  Fe14  1  0.898424  0.520490  0.315062  1
  Fe  Fe15  1  0.816476  0.856609  0.303237  1
  Fe  Fe16  1  0.977626  0.178015  0.323384  1
  Fe  Fe17  1  0.316476  0.856609  0.303237  1
  Fe  Fe18  1  0.477626  0.178015  0.323384  1
  Fe  Fe19  1  0.727626  0.678015  0.323384  1
  Fe  Fe20  1  0.227626  0.678015  0.323384  1
  Fe  Fe21  1  0.148424  0.020490  0.315062  1
  Fe  Fe22  1  0.566476  0.356609  0.303237  1
  Fe  Fe23  1  0.648424  0.020490  0.315062  1
  Fe  Fe24  1  0.066476  0.356609  0.303237  1
  Fe  Fe25  1  0.135694  0.494437  0.341132  1
  Fe  Fe26  1  0.635694  0.494437  0.341132  1
  Fe  Fe27  1  0.556738  0.836274  0.331870  1
  Fe  Fe28  1  0.716435  0.155620  0.351071  1
  Fe  Fe29  1  0.056738  0.836274  0.331870  1
  Fe  Fe30  1  0.216435  0.155620  0.351071  1
  Fe  Fe31  1  0.466435  0.655620  0.351071  1
  Fe  Fe32  1  0.966435  0.655620  0.351071  1
  Fe  Fe33  1  0.885694  0.994437  0.341132  1
  Fe  Fe34  1  0.306738  0.336274  0.331870  1
  Fe  Fe35  1  0.385694  0.994437  0.341132  1
  Fe  Fe36  1  0.806738  0.336274  0.331870  1
  Fe  Fe37  1  0.875048  0.472155  0.369350  1
  Fe  Fe38  1  0.375048  0.472155  0.369350  1
  Fe  Fe39  1  0.295761  0.813788  0.360108  1
  Fe  Fe40  1  0.454493  0.130871  0.378642  1
  Fe  Fe41  1  0.795761  0.813788  0.360108  1
  Fe  Fe42  1  0.954493  0.130871  0.378642  1
  Fe  Fe43  1  0.204493  0.630871  0.378642  1
  Fe  Fe44  1  0.704493  0.630871  0.378642  1
  Fe  Fe45  1  0.625048  0.972155  0.369350  1
  Fe  Fe46  1  0.045761  0.313788  0.360108  1
  Fe  Fe47  1  0.125048  0.972155  0.369350  1
  Fe  Fe48  1  0.545761  0.313788  0.360108  1
  Fe  Fe49  1  0.613850  0.448961  0.397379  1
  Fe  Fe50  1  0.113850  0.448961  0.397379  1
  Fe  Fe51  1  0.034375  0.790319  0.388175  1
  Fe  Fe52  1  0.193322  0.107658  0.406670  1
  Fe  Fe53  1  0.534375  0.790319  0.388175  1
  Fe  Fe54  1  0.693322  0.107658  0.406670  1
  Fe  Fe55  1  0.943322  0.607658  0.406670  1
  Fe  Fe56  1  0.443322  0.607658  0.406670  1
  Fe  Fe57  1  0.363850  0.948961  0.397379  1
  Fe  Fe58  1  0.784375  0.290319  0.388175  1
  Fe  Fe59  1  0.863850  0.948961  0.397379  1
  Fe  Fe60  1  0.284375  0.290319  0.388175  1
  Fe  Fe61  1  0.352509  0.425490  0.425401  1
  Fe  Fe62  1  0.852509  0.425490  0.425401  1
  Fe  Fe63  1  0.772855  0.766484  0.415987  1
  Fe  Fe64  1  0.932037  0.084262  0.434678  1
  Fe  Fe65  1  0.272855  0.766484  0.415987  1
  Fe  Fe66  1  0.432037  0.084262  0.434678  1
  Fe  Fe67  1  0.682037  0.584262  0.434678  1
  Fe  Fe68  1  0.182037  0.584262  0.434678  1
  Fe  Fe69  1  0.102509  0.925490  0.425401  1
  Fe  Fe70  1  0.522855  0.266484  0.415987  1
  Fe  Fe71  1  0.602509  0.925490  0.425401  1
  Fe  Fe72  1  0.022855  0.266484  0.415987  1
  Fe  Fe73  1  0.091108  0.401879  0.453312  1
  Fe  Fe74  1  0.591108  0.401879  0.453312  1
  Fe  Fe75  1  0.511559  0.743038  0.443996  1
  Fe  Fe76  1  0.670699  0.060778  0.462669  1
  Fe  Fe77  1  1.011559  0.743038  0.443996  1
  Fe  Fe78  1  0.170699  0.060778  0.462669  1
  Fe  Fe79  1  0.420699  0.560778  0.462669  1
  Fe  Fe80  1  0.920699  0.560778  0.462669  1
  Fe  Fe81  1  0.841108  0.901879  0.453312  1
  Fe  Fe82  1  0.261559  0.243038  0.443996  1
  Fe  Fe83  1  0.341108  0.901879  0.453312  1
  Fe  Fe84  1  0.761559  0.243038  0.443996  1
  Fe  Fe85  1  0.829785  0.378403  0.481302  1
  Fe  Fe86  1  0.329785  0.378403  0.481302  1
  Fe  Fe87  1  0.250244  0.719595  0.471975  1
  Fe  Fe88  1  0.409335  0.037236  0.490617  1
  Fe  Fe89  1  0.750244  0.719595  0.471975  1
  Fe  Fe90  1  0.909335  0.037236  0.490617  1
  Fe  Fe91  1  0.159335  0.537236  0.490617  1
  Fe  Fe92  1  0.659335  0.537236  0.490617  1
  Fe  Fe93  1  0.579785  0.878403  0.481302  1
  Fe  Fe94  1  1.000244  0.219595  0.471975  1
  Fe  Fe95  1  0.079785  0.878403  0.481302  1
  Fe  Fe96  1  0.500244  0.219595  0.471975  1
  Fe  Fe97  1  0.568461  0.354939  0.509277  1
  Fe  Fe98  1  0.068461  0.354939  0.509277  1
  Fe  Fe99  1  0.988911  0.696106  0.499962  1
  Fe  Fe100  1  0.148001  0.013747  0.518604  1
  Fe  Fe101  1  0.488911  0.696106  0.499962  1
  Fe  Fe102  1  0.648001  0.013747  0.518604  1
  Fe  Fe103  1  0.898001  0.513747  0.518604  1
  Fe  Fe104  1  0.398001  0.513747  0.518604  1
  Fe  Fe105  1  0.318461  0.854939  0.509277  1
  Fe  Fe106  1  0.738911  0.196106  0.499962  1
  Fe  Fe107  1  0.818461  0.854939  0.509277  1
  Fe  Fe108  1  0.238911  0.196106  0.499962  1
  Fe  Fe109  1  0.307138  0.331463  0.537267  1
  Fe  Fe110  1  0.807138  0.331463  0.537267  1
  Fe  Fe111  1  0.727546  0.672564  0.527910  1
  Fe  Fe112  1  0.886687  0.990304  0.546583  1
  Fe  Fe113  1  0.227546  0.672564  0.527910  1
  Fe  Fe114  1  0.386687  0.990304  0.546583  1
  Fe  Fe115  1  0.636687  0.490304  0.546583  1
  Fe  Fe116  1  0.136687  0.490304  0.546583  1
  Fe  Fe117  1  0.057138  0.831463  0.537267  1
  Fe  Fe118  1  0.477546  0.172564  0.527910  1
  Fe  Fe119  1  0.557138  0.831463  0.537267  1
  Fe  Fe120  1  0.977546  0.172564  0.527910  1
  Fe  Fe121  1  0.045736  0.307852  0.565178  1
  Fe  Fe122  1  0.545736  0.307852  0.565178  1
  Fe  Fe123  1  0.466209  0.649080  0.555901  1
  Fe  Fe124  1  0.625391  0.966858  0.574592  1
  Fe  Fe125  1  0.966209  0.649080  0.555901  1
  Fe  Fe126  1  0.125391  0.966858  0.574592  1
  Fe  Fe127  1  0.375391  0.466858  0.574592  1
  Fe  Fe128  1  0.875391  0.466858  0.574592  1
  Fe  Fe129  1  0.795736  0.807852  0.565178  1
  Fe  Fe130  1  0.216209  0.149080  0.555901  1
  Fe  Fe131  1  0.295736  0.807852  0.565178  1
  Fe  Fe132  1  0.716209  0.149080  0.555901  1
  Fe  Fe133  1  0.784396  0.284381  0.593200  1
  Fe  Fe134  1  0.284396  0.284381  0.593200  1
  Fe  Fe135  1  0.204924  0.625684  0.583909  1
  Fe  Fe136  1  0.363871  0.943022  0.602404  1
  Fe  Fe137  1  0.704924  0.625684  0.583909  1
  Fe  Fe138  1  0.863871  0.943022  0.602404  1
  Fe  Fe139  1  0.113871  0.443022  0.602404  1
  Fe  Fe140  1  0.613871  0.443022  0.602404  1
  Fe  Fe141  1  0.534396  0.784381  0.593200  1
  Fe  Fe142  1  0.954924  0.125684  0.583909  1
  Fe  Fe143  1  0.034396  0.784381  0.593200  1
  Fe  Fe144  1  0.454924  0.125684  0.583909  1
  Fe  Fe145  1  0.523197  0.261187  0.621229  1
  Fe  Fe146  1  0.023197  0.261187  0.621229  1
  Fe  Fe147  1  0.943753  0.602471  0.611937  1
  Fe  Fe148  1  0.102485  0.919554  0.630471  1
  Fe  Fe149  1  0.443753  0.602471  0.611937  1
  Fe  Fe150  1  0.602485  0.919554  0.630471  1
  Fe  Fe151  1  0.852485  0.419554  0.630471  1
  Fe  Fe152  1  0.352485  0.419554  0.630471  1
  Fe  Fe153  1  0.273197  0.761187  0.621229  1
  Fe  Fe154  1  0.693753  0.102471  0.611937  1
  Fe  Fe155  1  0.773197  0.761187  0.621229  1
  Fe  Fe156  1  0.193753  0.102471  0.611937  1
  Fe  Fe157  1  0.262551  0.238905  0.649447  1
  Fe  Fe158  1  0.762551  0.238905  0.649447  1
  Fe  Fe159  1  0.681811  0.577722  0.639508  1
  Fe  Fe160  1  0.841508  0.897068  0.658709  1
  Fe  Fe161  1  0.181811  0.577722  0.639508  1
  Fe  Fe162  1  0.341508  0.897068  0.658709  1
  Fe  Fe163  1  0.591508  0.397068  0.658709  1
  Fe  Fe164  1  0.091508  0.397068  0.658709  1
  Fe  Fe165  1  1.012551  0.738905  0.649447  1
  Fe  Fe166  1  0.431811  0.077722  0.639508  1
  Fe  Fe167  1  0.512551  0.738905  0.649447  1
  Fe  Fe168  1  0.931811  0.077722  0.639508  1
  Fe  Fe169  1  0.999822  0.212852  0.675517  1
  Fe  Fe170  1  0.499822  0.212852  0.675517  1
  Fe  Fe171  1  0.420619  0.555327  0.667195  1
  Fe  Fe172  1  0.581770  0.876732  0.687342  1
  Fe  Fe173  1  0.920619  0.555327  0.667195  1
  Fe  Fe174  1  0.081770  0.876732  0.687342  1
  Fe  Fe175  1  0.331770  0.376732  0.687342  1
  Fe  Fe176  1  0.831770  0.376732  0.687342  1
  Fe  Fe177  1  0.749822  0.712852  0.675517  1
  Fe  Fe178  1  0.170619  0.055327  0.667195  1
  Fe  Fe179  1  0.249822  0.712852  0.675517  1
  Fe  Fe180  1  0.670619  0.055327  0.667195  1
  Fe  Fe181  1  0.738903  0.190467  0.704084  1
  Fe  Fe182  1  0.238903  0.190467  0.704084  1
  Fe  Fe183  1  0.160212  0.533536  0.696280  1
  Fe  Fe184  1  0.312903  0.838160  0.712677  1
  Fe  Fe185  1  0.660212  0.533536  0.696280  1
  Fe  Fe186  1  0.812903  0.838160  0.712677  1
  Fe  Fe187  1  0.062903  0.338160  0.712677  1
  Fe  Fe188  1  0.562903  0.338160  0.712677  1
  Fe  Fe189  1  0.488903  0.690467  0.704084  1
  Fe  Fe190  1  0.910212  0.033536  0.696280  1
  Fe  Fe191  1  0.988903  0.690467  0.704084  1
  Fe  Fe192  1  0.410212  0.033536  0.696280  1
