# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.42370169
_cell_length_b   11.40563705
_cell_length_c   49.26984034
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe252
_cell_volume   6387.41528625
_cell_formula_units_Z   252
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  0.070239  0.361203  0.271830  1
  Fe  Fe2  1  0.403572  0.027869  0.271830  1
  Fe  Fe3  1  0.300823  0.381607  0.291603  1
  Fe  Fe4  1  0.736906  0.694536  0.271830  1
  Fe  Fe5  1  0.634157  0.048273  0.291603  1
  Fe  Fe6  1  0.628038  0.305583  0.315497  1
  Fe  Fe7  1  0.967490  0.714940  0.291603  1
  Fe  Fe8  1  0.961372  0.972250  0.315497  1
  Fe  Fe9  1  0.294705  0.638916  0.315497  1
  Fe  Fe10  1  0.134157  0.548273  0.291603  1
  Fe  Fe11  1  0.467490  0.214940  0.291603  1
  Fe  Fe12  1  0.461372  0.472250  0.315497  1
  Fe  Fe13  1  0.800823  0.881607  0.291603  1
  Fe  Fe14  1  0.794705  0.138916  0.315497  1
  Fe  Fe15  1  0.903572  0.527869  0.271830  1
  Fe  Fe16  1  0.128038  0.805583  0.315497  1
  Fe  Fe17  1  0.236906  0.194536  0.271830  1
  Fe  Fe18  1  0.570239  0.861203  0.271830  1
  Fe  Fe19  1  0.970291  0.463319  0.315502  1
  Fe  Fe20  1  0.303624  0.129985  0.315502  1
  Fe  Fe21  1  0.359283  0.572240  0.271824  1
  Fe  Fe22  1  0.636958  0.796652  0.315502  1
  Fe  Fe23  1  0.692616  0.238907  0.271824  1
  Fe  Fe24  1  0.712953  0.469469  0.291569  1
  Fe  Fe25  1  0.025950  0.905574  0.271824  1
  Fe  Fe26  1  0.046286  0.136136  0.291569  1
  Fe  Fe27  1  0.379619  0.802802  0.291569  1
  Fe  Fe28  1  0.136958  0.296652  0.315502  1
  Fe  Fe29  1  0.470291  0.963319  0.315502  1
  Fe  Fe30  1  0.525950  0.405574  0.271824  1
  Fe  Fe31  1  0.803624  0.629985  0.315502  1
  Fe  Fe32  1  0.859283  0.072240  0.271824  1
  Fe  Fe33  1  0.879619  0.302802  0.291569  1
  Fe  Fe34  1  0.192616  0.738907  0.271824  1
  Fe  Fe35  1  0.212953  0.969469  0.291569  1
  Fe  Fe36  1  0.546286  0.636136  0.291569  1
  Fe  Fe37  1  0.961019  0.225060  0.337927  1
  Fe  Fe38  1  0.294352  0.891727  0.337927  1
  Fe  Fe39  1  0.201007  0.236654  0.360936  1
  Fe  Fe40  1  0.627685  0.558394  0.337927  1
  Fe  Fe41  1  0.534340  0.903321  0.360936  1
  Fe  Fe42  1  0.501357  0.199168  0.384584  1
  Fe  Fe43  1  0.867674  0.569988  0.360936  1
  Fe  Fe44  1  0.834691  0.865834  0.384584  1
  Fe  Fe45  1  0.168024  0.532501  0.384584  1
  Fe  Fe46  1  0.034340  0.403321  0.360936  1
  Fe  Fe47  1  0.367674  0.069988  0.360936  1
  Fe  Fe48  1  0.334691  0.365834  0.384584  1
  Fe  Fe49  1  0.701007  0.736654  0.360936  1
  Fe  Fe50  1  0.668024  0.032501  0.384584  1
  Fe  Fe51  1  0.794352  0.391727  0.337927  1
  Fe  Fe52  1  1.001357  0.699168  0.384584  1
  Fe  Fe53  1  0.127685  0.058394  0.337927  1
  Fe  Fe54  1  0.461019  0.725060  0.337927  1
  Fe  Fe55  1  0.864290  0.336159  0.384558  1
  Fe  Fe56  1  0.197624  1.002826  0.384558  1
  Fe  Fe57  1  0.223189  0.462898  0.337946  1
  Fe  Fe58  1  0.530957  0.669493  0.384558  1
  Fe  Fe59  1  0.556523  0.129565  0.337946  1
  Fe  Fe60  1  0.567894  0.369666  0.360919  1
  Fe  Fe61  1  0.889856  0.796232  0.337946  1
  Fe  Fe62  1  0.901227  0.036333  0.360919  1
  Fe  Fe63  1  0.234561  0.703000  0.360919  1
  Fe  Fe64  1  0.030957  0.169493  0.384558  1
  Fe  Fe65  1  0.364290  0.836159  0.384558  1
  Fe  Fe66  1  0.389856  0.296232  0.337946  1
  Fe  Fe67  1  0.697624  0.502826  0.384558  1
  Fe  Fe68  1  0.723189  0.962898  0.337946  1
  Fe  Fe69  1  0.734561  0.203000  0.360919  1
  Fe  Fe70  1  0.056523  0.629565  0.337946  1
  Fe  Fe71  1  0.067894  0.869666  0.360919  1
  Fe  Fe72  1  0.401227  0.536333  0.360919  1
  Fe  Fe73  1  0.841753  0.111276  0.407462  1
  Fe  Fe74  1  0.175086  0.777943  0.407462  1
  Fe  Fe75  1  0.091114  0.114822  0.430268  1
  Fe  Fe76  1  0.508419  0.444609  0.407462  1
  Fe  Fe77  1  0.424447  0.781489  0.430268  1
  Fe  Fe78  1  0.379442  0.088574  0.453950  1
  Fe  Fe79  1  0.757781  0.448155  0.430268  1
  Fe  Fe80  1  0.712776  0.755240  0.453950  1
  Fe  Fe81  1  0.046109  0.421907  0.453950  1
  Fe  Fe82  1  0.924447  0.281489  0.430268  1
  Fe  Fe83  1  0.257781  0.948155  0.430268  1
  Fe  Fe84  1  0.212776  0.255240  0.453950  1
  Fe  Fe85  1  0.591114  0.614822  0.430268  1
  Fe  Fe86  1  0.546109  0.921907  0.453950  1
  Fe  Fe87  1  0.675086  0.277943  0.407462  1
  Fe  Fe88  1  0.879442  0.588574  0.453950  1
  Fe  Fe89  1  0.008419  0.944609  0.407462  1
  Fe  Fe90  1  0.341753  0.611276  0.407462  1
  Fe  Fe91  1  0.754141  0.213577  0.453927  1
  Fe  Fe92  1  0.087474  0.880244  0.453927  1
  Fe  Fe93  1  0.109657  0.343326  0.407461  1
  Fe  Fe94  1  0.420807  0.546911  0.453927  1
  Fe  Fe95  1  0.442990  0.009993  0.407461  1
  Fe  Fe96  1  0.446372  0.259591  0.430265  1
  Fe  Fe97  1  0.776323  0.676660  0.407461  1
  Fe  Fe98  1  0.779705  0.926258  0.430265  1
  Fe  Fe99  1  0.113038  0.592925  0.430265  1
  Fe  Fe100  1  0.920807  0.046911  0.453927  1
  Fe  Fe101  1  0.254141  0.713577  0.453927  1
  Fe  Fe102  1  0.276323  0.176660  0.407461  1
  Fe  Fe103  1  0.587474  0.380244  0.453927  1
  Fe  Fe104  1  0.609657  0.843326  0.407461  1
  Fe  Fe105  1  0.613038  0.092925  0.430265  1
  Fe  Fe106  1  0.942990  0.509993  0.407461  1
  Fe  Fe107  1  0.946372  0.759591  0.430265  1
  Fe  Fe108  1  0.279705  0.426258  0.430265  1
  Fe  Fe109  1  0.724694  0.995488  0.476594  1
  Fe  Fe110  1  0.058028  0.662154  0.476594  1
  Fe  Fe111  1  0.986755  0.987850  0.499601  1
  Fe  Fe112  1  0.391361  0.328821  0.476594  1
  Fe  Fe113  1  0.320088  0.654516  0.499601  1
  Fe  Fe114  1  0.248815  0.980212  0.522609  1
  Fe  Fe115  1  0.653421  0.321183  0.499601  1
  Fe  Fe116  1  0.582148  0.646878  0.522609  1
  Fe  Fe117  1  0.915482  0.313545  0.522609  1
  Fe  Fe118  1  0.820088  0.154516  0.499601  1
  Fe  Fe119  1  0.153421  0.821183  0.499601  1
  Fe  Fe120  1  0.082148  0.146878  0.522609  1
  Fe  Fe121  1  0.486755  0.487850  0.499601  1
  Fe  Fe122  1  0.415482  0.813545  0.522609  1
  Fe  Fe123  1  0.558028  0.162154  0.476594  1
  Fe  Fe124  1  0.748815  0.480212  0.522609  1
  Fe  Fe125  1  0.891361  0.828821  0.476594  1
  Fe  Fe126  1  0.224694  0.495488  0.476594  1
  Fe  Fe127  1  0.645923  0.083098  0.522629  1
  Fe  Fe128  1  0.979256  0.749765  0.522629  1
  Fe  Fe129  1  0.994254  0.225935  0.476574  1
  Fe  Fe130  1  0.312589  0.416432  0.522629  1
  Fe  Fe131  1  0.327587  0.892601  0.476574  1
  Fe  Fe132  1  0.320088  0.154516  0.499601  1
  Fe  Fe133  1  0.660920  0.559268  0.476574  1
  Fe  Fe134  1  0.653421  0.821183  0.499601  1
  Fe  Fe135  1  0.986755  0.487850  0.499601  1
  Fe  Fe136  1  0.812589  0.916432  0.522629  1
  Fe  Fe137  1  0.145923  0.583098  0.522629  1
  Fe  Fe138  1  0.160920  0.059268  0.476574  1
  Fe  Fe139  1  0.479256  0.249765  0.522629  1
  Fe  Fe140  1  0.494254  0.725935  0.476574  1
  Fe  Fe141  1  0.486755  0.987850  0.499601  1
  Fe  Fe142  1  0.827587  0.392601  0.476574  1
  Fe  Fe143  1  0.820088  0.654516  0.499601  1
  Fe  Fe144  1  0.153421  0.321183  0.499601  1
  Fe  Fe145  1  0.594067  0.887126  0.545253  1
  Fe  Fe146  1  0.927400  0.553793  0.545253  1
  Fe  Fe147  1  0.882395  0.860878  0.568935  1
  Fe  Fe148  1  0.260734  0.220459  0.545253  1
  Fe  Fe149  1  0.215729  0.527544  0.568935  1
  Fe  Fe150  1  0.131757  0.864424  0.591741  1
  Fe  Fe151  1  0.549062  0.194211  0.568935  1
  Fe  Fe152  1  0.465090  0.531090  0.591741  1
  Fe  Fe153  1  0.798423  0.197757  0.591741  1
  Fe  Fe154  1  0.715729  0.027544  0.568935  1
  Fe  Fe155  1  0.049062  0.694211  0.568935  1
  Fe  Fe156  1  0.965090  0.031090  0.591741  1
  Fe  Fe157  1  0.382395  0.360878  0.568935  1
  Fe  Fe158  1  0.298423  0.697757  0.591741  1
  Fe  Fe159  1  0.427400  0.053793  0.545253  1
  Fe  Fe160  1  0.631757  0.364424  0.591741  1
  Fe  Fe161  1  0.760734  0.720459  0.545253  1
  Fe  Fe162  1  0.094067  0.387126  0.545253  1
  Fe  Fe163  1  0.530519  0.965706  0.591742  1
  Fe  Fe164  1  0.863853  0.632373  0.591742  1
  Fe  Fe165  1  0.886035  0.095455  0.545276  1
  Fe  Fe166  1  0.197186  0.299040  0.591742  1
  Fe  Fe167  1  0.219369  0.762122  0.545276  1
  Fe  Fe168  1  0.193804  0.049442  0.568937  1
  Fe  Fe169  1  0.552702  0.428789  0.545276  1
  Fe  Fe170  1  0.527138  0.716108  0.568937  1
  Fe  Fe171  1  0.860471  0.382775  0.568937  1
  Fe  Fe172  1  0.697186  0.799040  0.591742  1
  Fe  Fe173  1  0.030519  0.465706  0.591742  1
  Fe  Fe174  1  0.052702  0.928789  0.545276  1
  Fe  Fe175  1  0.363853  0.132373  0.591742  1
  Fe  Fe176  1  0.386035  0.595455  0.545276  1
  Fe  Fe177  1  0.360471  0.882775  0.568937  1
  Fe  Fe178  1  0.719369  0.262122  0.545276  1
  Fe  Fe179  1  0.693804  0.549442  0.568937  1
  Fe  Fe180  1  0.027138  0.216108  0.568937  1
  Fe  Fe181  1  0.472152  0.776532  0.614619  1
  Fe  Fe182  1  0.805485  0.443199  0.614619  1
  Fe  Fe183  1  0.772502  0.739045  0.638266  1
  Fe  Fe184  1  0.138819  0.109865  0.614619  1
  Fe  Fe185  1  0.105836  0.405712  0.638266  1
  Fe  Fe186  1  0.012491  0.750639  0.661276  1
  Fe  Fe187  1  0.439169  0.072378  0.638266  1
  Fe  Fe188  1  0.345824  0.417306  0.661276  1
  Fe  Fe189  1  0.679157  0.083973  0.661276  1
  Fe  Fe190  1  0.605836  0.905712  0.638266  1
  Fe  Fe191  1  0.939169  0.572378  0.638266  1
  Fe  Fe192  1  0.845824  0.917306  0.661276  1
  Fe  Fe193  1  0.272502  0.239045  0.638266  1
  Fe  Fe194  1  0.179157  0.583973  0.661276  1
  Fe  Fe195  1  0.305485  0.943199  0.614619  1
  Fe  Fe196  1  0.512491  0.250639  0.661276  1
  Fe  Fe197  1  0.638819  0.609865  0.614619  1
  Fe  Fe198  1  0.972152  0.276532  0.614619  1
  Fe  Fe199  1  0.416987  0.846135  0.661257  1
  Fe  Fe200  1  0.750320  0.512801  0.661257  1
  Fe  Fe201  1  0.775886  0.972873  0.614645  1
  Fe  Fe202  1  0.083653  0.179468  0.661257  1
  Fe  Fe203  1  0.109219  0.639540  0.614645  1
  Fe  Fe204  1  0.072282  0.939366  0.638284  1
  Fe  Fe205  1  0.442553  0.306207  0.614645  1
  Fe  Fe206  1  0.405615  0.606033  0.638284  1
  Fe  Fe207  1  0.738949  0.272700  0.638284  1
  Fe  Fe208  1  0.583653  0.679468  0.661257  1
  Fe  Fe209  1  0.916987  0.346135  0.661257  1
  Fe  Fe210  1  0.942553  0.806207  0.614645  1
  Fe  Fe211  1  0.250320  0.012801  0.661257  1
  Fe  Fe212  1  0.275886  0.472873  0.614645  1
  Fe  Fe213  1  0.238949  0.772700  0.638284  1
  Fe  Fe214  1  0.609219  0.139540  0.614645  1
  Fe  Fe215  1  0.572282  0.439366  0.638284  1
  Fe  Fe216  1  0.905615  0.106033  0.638284  1
  Fe  Fe217  1  0.345471  0.670117  0.683706  1
  Fe  Fe218  1  0.678804  0.336783  0.683706  1
  Fe  Fe219  1  0.672686  0.594093  0.707600  1
  Fe  Fe220  1  0.012138  0.003450  0.683706  1
  Fe  Fe221  1  0.006020  0.260760  0.707600  1
  Fe  Fe222  1  0.903270  0.614497  0.727373  1
  Fe  Fe223  1  0.339353  0.927426  0.707600  1
  Fe  Fe224  1  0.236604  0.281163  0.727373  1
  Fe  Fe225  1  0.569937  0.947830  0.727373  1
  Fe  Fe226  1  0.506020  0.760760  0.707600  1
  Fe  Fe227  1  0.839353  0.427426  0.707600  1
  Fe  Fe228  1  0.736604  0.781163  0.727373  1
  Fe  Fe229  1  0.172686  0.094093  0.707600  1
  Fe  Fe230  1  0.069937  0.447830  0.727373  1
  Fe  Fe231  1  0.178804  0.836783  0.683706  1
  Fe  Fe232  1  0.403270  0.114497  0.727373  1
  Fe  Fe233  1  0.512138  0.503450  0.683706  1
  Fe  Fe234  1  0.845471  0.170117  0.683706  1
  Fe  Fe235  1  0.280893  0.736793  0.727379  1
  Fe  Fe236  1  0.614226  0.403459  0.727379  1
  Fe  Fe237  1  0.669885  0.845714  0.683701  1
  Fe  Fe238  1  0.947560  0.070126  0.727379  1
  Fe  Fe239  1  0.003218  0.512381  0.683701  1
  Fe  Fe240  1  0.927223  0.839564  0.707634  1
  Fe  Fe241  1  0.336552  0.179048  0.683701  1
  Fe  Fe242  1  0.260557  0.506231  0.707634  1
  Fe  Fe243  1  0.593890  0.172897  0.707634  1
  Fe  Fe244  1  0.447560  0.570126  0.727379  1
  Fe  Fe245  1  0.780893  0.236793  0.727379  1
  Fe  Fe246  1  0.836552  0.679048  0.683701  1
  Fe  Fe247  1  0.114226  0.903459  0.727379  1
  Fe  Fe248  1  0.169885  0.345714  0.683701  1
  Fe  Fe249  1  0.093890  0.672897  0.707634  1
  Fe  Fe250  1  0.503218  0.012381  0.683701  1
  Fe  Fe251  1  0.427223  0.339564  0.707634  1
  Fe  Fe252  1  0.760557  0.006231  0.707634  1
