# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.13302892
_cell_length_b   25.42823083
_cell_length_c   46.84916264
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.46951686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe468
_cell_volume   13079.6245988
_cell_formula_units_Z   468
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  0.067864  0.802046  0.311365  1
  Fe  Fe2  1  0.734531  0.635379  0.311365  1
  Fe  Fe3  1  0.852049  0.807747  0.290745  1
  Fe  Fe4  1  0.067864  0.302046  0.311365  1
  Fe  Fe5  1  0.185383  0.474413  0.290745  1
  Fe  Fe6  1  0.125457  0.637606  0.300601  1
  Fe  Fe7  1  0.401197  0.468712  0.311365  1
  Fe  Fe8  1  0.518716  0.641080  0.290745  1
  Fe  Fe9  1  0.458790  0.804273  0.300601  1
  Fe  Fe10  1  0.734531  0.135379  0.311365  1
  Fe  Fe11  1  0.852049  0.307747  0.290745  1
  Fe  Fe12  1  0.792123  0.470940  0.300601  1
  Fe  Fe13  1  0.185383  0.974413  0.290745  1
  Fe  Fe14  1  0.125457  0.137606  0.300601  1
  Fe  Fe15  1  0.401197  0.968712  0.311365  1
  Fe  Fe16  1  0.518716  0.141080  0.290745  1
  Fe  Fe17  1  0.458790  0.304273  0.300601  1
  Fe  Fe18  1  0.792123  0.970940  0.300601  1
  Fe  Fe19  1  0.346721  0.892888  0.282993  1
  Fe  Fe20  1  0.013388  0.726222  0.282993  1
  Fe  Fe21  1  0.953683  0.889679  0.292518  1
  Fe  Fe22  1  0.346721  0.392888  0.282993  1
  Fe  Fe23  1  0.287016  0.556346  0.292518  1
  Fe  Fe24  1  0.229547  0.720410  0.302016  1
  Fe  Fe25  1  0.680055  0.559555  0.282993  1
  Fe  Fe26  1  0.620350  0.723013  0.292518  1
  Fe  Fe27  1  0.562880  0.887077  0.302016  1
  Fe  Fe28  1  0.013388  0.226222  0.282993  1
  Fe  Fe29  1  0.953683  0.389679  0.292518  1
  Fe  Fe30  1  0.896214  0.553743  0.302016  1
  Fe  Fe31  1  0.287016  0.056346  0.292518  1
  Fe  Fe32  1  0.229547  0.220410  0.302016  1
  Fe  Fe33  1  0.680055  0.059555  0.282993  1
  Fe  Fe34  1  0.620350  0.223013  0.292518  1
  Fe  Fe35  1  0.562880  0.387077  0.302016  1
  Fe  Fe36  1  0.896214  0.053743  0.302016  1
  Fe  Fe37  1  0.886201  0.793805  0.344290  1
  Fe  Fe38  1  0.552867  0.627139  0.344290  1
  Fe  Fe39  1  0.670335  0.799636  0.322478  1
  Fe  Fe40  1  0.886201  0.293805  0.344290  1
  Fe  Fe41  1  1.003669  0.466303  0.322478  1
  Fe  Fe42  1  0.945331  0.630419  0.333145  1
  Fe  Fe43  1  0.219534  0.460472  0.344290  1
  Fe  Fe44  1  0.337002  0.632970  0.322478  1
  Fe  Fe45  1  0.278664  0.797086  0.333145  1
  Fe  Fe46  1  0.552867  0.127139  0.344290  1
  Fe  Fe47  1  0.670335  0.299636  0.322478  1
  Fe  Fe48  1  0.611998  0.463753  0.333145  1
  Fe  Fe49  1  1.003669  0.966303  0.322478  1
  Fe  Fe50  1  0.945331  0.130419  0.333145  1
  Fe  Fe51  1  0.219534  0.960472  0.344290  1
  Fe  Fe52  1  0.337002  0.132970  0.322478  1
  Fe  Fe53  1  0.278664  0.297086  0.333145  1
  Fe  Fe54  1  0.611998  0.963753  0.333145  1
  Fe  Fe55  1  0.165968  0.884823  0.313244  1
  Fe  Fe56  1  0.832635  0.718157  0.313244  1
  Fe  Fe57  1  0.773535  0.882565  0.324579  1
  Fe  Fe58  1  0.165968  0.384823  0.313244  1
  Fe  Fe59  1  0.106868  0.549232  0.324579  1
  Fe  Fe60  1  0.050405  0.712709  0.335718  1
  Fe  Fe61  1  0.499302  0.551490  0.313244  1
  Fe  Fe62  1  0.440202  0.715898  0.324579  1
  Fe  Fe63  1  0.383738  0.879376  0.335718  1
  Fe  Fe64  1  0.832635  0.218157  0.313244  1
  Fe  Fe65  1  0.773535  0.382565  0.324579  1
  Fe  Fe66  1  0.717072  0.546042  0.335718  1
  Fe  Fe67  1  0.106868  0.049232  0.324579  1
  Fe  Fe68  1  0.050405  0.212709  0.335718  1
  Fe  Fe69  1  0.499302  0.051490  0.313244  1
  Fe  Fe70  1  0.440202  0.215898  0.324579  1
  Fe  Fe71  1  0.383738  0.379376  0.335718  1
  Fe  Fe72  1  0.717072  0.046042  0.335718  1
  Fe  Fe73  1  0.704632  0.786293  0.377974  1
  Fe  Fe74  1  0.371298  0.619626  0.377974  1
  Fe  Fe75  1  0.491149  0.791514  0.355947  1
  Fe  Fe76  1  0.704632  0.286293  0.377974  1
  Fe  Fe77  1  0.824482  0.458180  0.355947  1
  Fe  Fe78  1  0.764817  0.622389  0.366885  1
  Fe  Fe79  1  0.037965  0.452960  0.377974  1
  Fe  Fe80  1  0.157816  0.624847  0.355947  1
  Fe  Fe81  1  0.098150  0.789056  0.366885  1
  Fe  Fe82  1  0.371298  0.119626  0.377974  1
  Fe  Fe83  1  0.491149  0.291514  0.355947  1
  Fe  Fe84  1  0.431483  0.455722  0.366885  1
  Fe  Fe85  1  0.824482  0.958180  0.355947  1
  Fe  Fe86  1  0.764817  0.122389  0.366885  1
  Fe  Fe87  1  0.037965  0.952960  0.377974  1
  Fe  Fe88  1  0.157816  0.124847  0.355947  1
  Fe  Fe89  1  0.098150  0.289056  0.366885  1
  Fe  Fe90  1  0.431483  0.955722  0.366885  1
  Fe  Fe91  1  0.987651  0.877021  0.346586  1
  Fe  Fe92  1  0.654318  0.710354  0.346586  1
  Fe  Fe93  1  0.595030  0.874640  0.357626  1
  Fe  Fe94  1  0.987651  0.377021  0.346586  1
  Fe  Fe95  1  0.928364  0.541306  0.357626  1
  Fe  Fe96  1  0.868821  0.705179  0.368542  1
  Fe  Fe97  1  0.320984  0.543687  0.346586  1
  Fe  Fe98  1  0.261697  0.707973  0.357626  1
  Fe  Fe99  1  0.202154  0.871845  0.368542  1
  Fe  Fe100  1  0.654318  0.210354  0.346586  1
  Fe  Fe101  1  0.595030  0.374640  0.357626  1
  Fe  Fe102  1  0.535487  0.538512  0.368542  1
  Fe  Fe103  1  0.928364  0.041306  0.357626  1
  Fe  Fe104  1  0.868821  0.205179  0.368542  1
  Fe  Fe105  1  0.320984  0.043687  0.346586  1
  Fe  Fe106  1  0.261697  0.207973  0.357626  1
  Fe  Fe107  1  0.202154  0.371845  0.368542  1
  Fe  Fe108  1  0.535487  0.038512  0.368542  1
  Fe  Fe109  1  0.524217  0.778298  0.411595  1
  Fe  Fe110  1  0.190883  0.611631  0.411595  1
  Fe  Fe111  1  0.310786  0.783718  0.389219  1
  Fe  Fe112  1  0.524217  0.278298  0.411595  1
  Fe  Fe113  1  0.644119  0.450384  0.389219  1
  Fe  Fe114  1  0.584252  0.614311  0.400388  1
  Fe  Fe115  1  0.857550  0.444964  0.411595  1
  Fe  Fe116  1  0.977453  0.617051  0.389219  1
  Fe  Fe117  1  0.917585  0.780977  0.400388  1
  Fe  Fe118  1  0.190883  0.111631  0.411595  1
  Fe  Fe119  1  0.310786  0.283718  0.389219  1
  Fe  Fe120  1  0.250919  0.447644  0.400388  1
  Fe  Fe121  1  0.644119  0.950384  0.389219  1
  Fe  Fe122  1  0.584252  0.114311  0.400388  1
  Fe  Fe123  1  0.857550  0.944964  0.411595  1
  Fe  Fe124  1  0.977453  0.117051  0.389219  1
  Fe  Fe125  1  0.917585  0.280977  0.400388  1
  Fe  Fe126  1  0.250919  0.947644  0.400388  1
  Fe  Fe127  1  0.808430  0.868971  0.379810  1
  Fe  Fe128  1  0.475097  0.702304  0.379810  1
  Fe  Fe129  1  0.415234  0.866548  0.391179  1
  Fe  Fe130  1  0.808430  0.368971  0.379810  1
  Fe  Fe131  1  0.748568  0.533215  0.391179  1
  Fe  Fe132  1  0.688702  0.697211  0.402184  1
  Fe  Fe133  1  0.141764  0.535638  0.379810  1
  Fe  Fe134  1  0.081901  0.699882  0.391179  1
  Fe  Fe135  1  0.022036  0.863877  0.402184  1
  Fe  Fe136  1  0.475097  0.202304  0.379810  1
  Fe  Fe137  1  0.415234  0.366548  0.391179  1
  Fe  Fe138  1  0.355369  0.530544  0.402184  1
  Fe  Fe139  1  0.748568  0.033215  0.391179  1
  Fe  Fe140  1  0.688702  0.197211  0.402184  1
  Fe  Fe141  1  0.141764  0.035638  0.379810  1
  Fe  Fe142  1  0.081901  0.199882  0.391179  1
  Fe  Fe143  1  0.022036  0.363877  0.402184  1
  Fe  Fe144  1  0.355369  0.030544  0.402184  1
  Fe  Fe145  1  0.344088  0.770418  0.445073  1
  Fe  Fe146  1  1.010755  0.603752  0.445073  1
  Fe  Fe147  1  0.130796  0.775765  0.422776  1
  Fe  Fe148  1  0.344088  0.270418  0.445073  1
  Fe  Fe149  1  0.464129  0.442432  0.422776  1
  Fe  Fe150  1  0.404098  0.606401  0.433895  1
  Fe  Fe151  1  0.677421  0.437085  0.445073  1
  Fe  Fe152  1  0.797462  0.609099  0.422776  1
  Fe  Fe153  1  0.737431  0.773067  0.433895  1
  Fe  Fe154  1  1.010755  0.103752  0.445073  1
  Fe  Fe155  1  0.130796  0.275765  0.422776  1
  Fe  Fe156  1  0.070764  0.439734  0.433895  1
  Fe  Fe157  1  0.464129  0.942432  0.422776  1
  Fe  Fe158  1  0.404098  0.106401  0.433895  1
  Fe  Fe159  1  0.677421  0.937085  0.445073  1
  Fe  Fe160  1  0.797462  0.109099  0.422776  1
  Fe  Fe161  1  0.737431  0.273067  0.433895  1
  Fe  Fe162  1  0.070764  0.939734  0.433895  1
  Fe  Fe163  1  0.628614  0.861230  0.413352  1
  Fe  Fe164  1  0.295281  0.694563  0.413352  1
  Fe  Fe165  1  0.235152  0.858614  0.424515  1
  Fe  Fe166  1  0.628614  0.361230  0.413352  1
  Fe  Fe167  1  0.568486  0.525281  0.424515  1
  Fe  Fe168  1  0.508591  0.689262  0.435665  1
  Fe  Fe169  1  0.961948  0.527896  0.413352  1
  Fe  Fe170  1  0.901819  0.691947  0.424515  1
  Fe  Fe171  1  0.841924  0.855928  0.435665  1
  Fe  Fe172  1  0.295281  0.194563  0.413352  1
  Fe  Fe173  1  0.235152  0.358614  0.424515  1
  Fe  Fe174  1  0.175258  0.522595  0.435665  1
  Fe  Fe175  1  0.568486  0.025281  0.424515  1
  Fe  Fe176  1  0.508591  0.189262  0.435665  1
  Fe  Fe177  1  0.961948  0.027896  0.413352  1
  Fe  Fe178  1  0.901819  0.191947  0.424515  1
  Fe  Fe179  1  0.841924  0.355928  0.435665  1
  Fe  Fe180  1  0.175258  0.022595  0.435665  1
  Fe  Fe181  1  0.164010  0.762502  0.478587  1
  Fe  Fe182  1  0.830677  0.595835  0.478587  1
  Fe  Fe183  1  0.950661  0.767797  0.456263  1
  Fe  Fe184  1  0.164010  0.262502  0.478587  1
  Fe  Fe185  1  0.283994  0.434463  0.456263  1
  Fe  Fe186  1  0.224017  0.598470  0.467422  1
  Fe  Fe187  1  0.497343  0.429168  0.478587  1
  Fe  Fe188  1  0.617328  0.601130  0.456263  1
  Fe  Fe189  1  0.557351  0.765136  0.467422  1
  Fe  Fe190  1  0.830677  0.095835  0.478587  1
  Fe  Fe191  1  0.950661  0.267797  0.456263  1
  Fe  Fe192  1  0.890684  0.431803  0.467422  1
  Fe  Fe193  1  0.283994  0.934463  0.456263  1
  Fe  Fe194  1  0.224017  0.098470  0.467422  1
  Fe  Fe195  1  0.497343  0.929168  0.478587  1
  Fe  Fe196  1  0.617328  0.101130  0.456263  1
  Fe  Fe197  1  0.557351  0.265136  0.467422  1
  Fe  Fe198  1  0.890684  0.931803  0.467422  1
  Fe  Fe199  1  0.448533  0.853301  0.446875  1
  Fe  Fe200  1  0.115200  0.686634  0.446875  1
  Fe  Fe201  1  0.055136  0.850676  0.458031  1
  Fe  Fe202  1  0.448533  0.353301  0.446875  1
  Fe  Fe203  1  0.388469  0.517343  0.458031  1
  Fe  Fe204  1  0.328529  0.681348  0.469173  1
  Fe  Fe205  1  0.781867  0.519968  0.446875  1
  Fe  Fe206  1  0.721802  0.684010  0.458031  1
  Fe  Fe207  1  0.661862  0.848015  0.469173  1
  Fe  Fe208  1  0.115200  0.186634  0.446875  1
  Fe  Fe209  1  0.055136  0.350676  0.458031  1
  Fe  Fe210  1  0.995196  0.514681  0.469173  1
  Fe  Fe211  1  0.388469  0.017343  0.458031  1
  Fe  Fe212  1  0.328529  0.181348  0.469173  1
  Fe  Fe213  1  0.781867  0.019968  0.446875  1
  Fe  Fe214  1  0.721802  0.184010  0.458031  1
  Fe  Fe215  1  0.661862  0.348015  0.469173  1
  Fe  Fe216  1  0.995196  0.014681  0.469173  1
  Fe  Fe217  1  0.983924  0.754575  0.512091  1
  Fe  Fe218  1  0.650591  0.587909  0.512091  1
  Fe  Fe219  1  0.770615  0.759864  0.489750  1
  Fe  Fe220  1  0.983924  0.254575  0.512091  1
  Fe  Fe221  1  0.103948  0.426531  0.489750  1
  Fe  Fe222  1  0.043963  0.590546  0.500915  1
  Fe  Fe223  1  0.317257  0.421242  0.512091  1
  Fe  Fe224  1  0.437281  0.593198  0.489750  1
  Fe  Fe225  1  0.377296  0.757213  0.500915  1
  Fe  Fe226  1  0.650591  0.087909  0.512091  1
  Fe  Fe227  1  0.770615  0.259864  0.489750  1
  Fe  Fe228  1  0.710629  0.423879  0.500915  1
  Fe  Fe229  1  0.103948  0.926531  0.489750  1
  Fe  Fe230  1  0.043963  0.090546  0.500915  1
  Fe  Fe231  1  0.317257  0.921242  0.512091  1
  Fe  Fe232  1  0.437281  0.093198  0.489750  1
  Fe  Fe233  1  0.377296  0.257213  0.500915  1
  Fe  Fe234  1  0.710629  0.923879  0.500915  1
  Fe  Fe235  1  0.268467  0.845380  0.480344  1
  Fe  Fe236  1  0.935133  0.678713  0.480344  1
  Fe  Fe237  1  0.875094  0.842742  0.491521  1
  Fe  Fe238  1  0.268467  0.345380  0.480344  1
  Fe  Fe239  1  0.208428  0.509409  0.491521  1
  Fe  Fe240  1  0.148442  0.673424  0.502685  1
  Fe  Fe241  1  0.601800  0.512046  0.480344  1
  Fe  Fe242  1  0.541761  0.676076  0.491521  1
  Fe  Fe243  1  0.481776  0.840091  0.502685  1
  Fe  Fe244  1  0.935133  0.178713  0.480344  1
  Fe  Fe245  1  0.875094  0.342742  0.491521  1
  Fe  Fe246  1  0.815109  0.506757  0.502685  1
  Fe  Fe247  1  0.208428  0.009409  0.491521  1
  Fe  Fe248  1  0.148442  0.173424  0.502685  1
  Fe  Fe249  1  0.601800  0.012046  0.480344  1
  Fe  Fe250  1  0.541761  0.176076  0.491521  1
  Fe  Fe251  1  0.481776  0.340091  0.502685  1
  Fe  Fe252  1  0.815109  0.006757  0.502685  1
  Fe  Fe253  1  0.803857  0.746654  0.545560  1
  Fe  Fe254  1  0.470524  0.579987  0.545560  1
  Fe  Fe255  1  0.590528  0.751940  0.523262  1
  Fe  Fe256  1  0.803857  0.246654  0.545560  1
  Fe  Fe257  1  0.923861  0.418607  0.523262  1
  Fe  Fe258  1  0.863921  0.582612  0.534404  1
  Fe  Fe259  1  0.137190  0.413321  0.545560  1
  Fe  Fe260  1  0.257195  0.585274  0.523262  1
  Fe  Fe261  1  0.197255  0.749279  0.534404  1
  Fe  Fe262  1  0.470524  0.079987  0.545560  1
  Fe  Fe263  1  0.590528  0.251940  0.523262  1
  Fe  Fe264  1  0.530588  0.415945  0.534404  1
  Fe  Fe265  1  0.923861  0.918607  0.523262  1
  Fe  Fe266  1  0.863921  0.082612  0.534404  1
  Fe  Fe267  1  0.137190  0.913321  0.545560  1
  Fe  Fe268  1  0.257195  0.085274  0.523262  1
  Fe  Fe269  1  0.197255  0.249279  0.534404  1
  Fe  Fe270  1  0.530588  0.915945  0.534404  1
  Fe  Fe271  1  0.088380  0.837453  0.513849  1
  Fe  Fe272  1  0.755047  0.670787  0.513849  1
  Fe  Fe273  1  0.695040  0.834819  0.525013  1
  Fe  Fe274  1  0.088380  0.337453  0.513849  1
  Fe  Fe275  1  0.028373  0.501485  0.525013  1
  Fe  Fe276  1  0.968396  0.665492  0.536173  1
  Fe  Fe277  1  0.421714  0.504120  0.513849  1
  Fe  Fe278  1  0.361706  0.668152  0.525013  1
  Fe  Fe279  1  0.301729  0.832158  0.536173  1
  Fe  Fe280  1  0.755047  0.170787  0.513849  1
  Fe  Fe281  1  0.695040  0.334819  0.525013  1
  Fe  Fe282  1  0.635063  0.498825  0.536173  1
  Fe  Fe283  1  0.028373  0.001485  0.525013  1
  Fe  Fe284  1  0.968396  0.165492  0.536173  1
  Fe  Fe285  1  0.421714  0.004120  0.513849  1
  Fe  Fe286  1  0.361706  0.168152  0.525013  1
  Fe  Fe287  1  0.301729  0.332158  0.536173  1
  Fe  Fe288  1  0.635063  0.998825  0.536173  1
  Fe  Fe289  1  0.623776  0.738725  0.579083  1
  Fe  Fe290  1  0.290443  0.572059  0.579083  1
  Fe  Fe291  1  0.410466  0.744027  0.556770  1
  Fe  Fe292  1  0.623776  0.238725  0.579083  1
  Fe  Fe293  1  0.743799  0.410693  0.556770  1
  Fe  Fe294  1  0.683905  0.574674  0.567920  1
  Fe  Fe295  1  0.957109  0.405392  0.579083  1
  Fe  Fe296  1  0.077133  0.577360  0.556770  1
  Fe  Fe297  1  0.017238  0.741341  0.567920  1
  Fe  Fe298  1  0.290443  0.072059  0.579083  1
  Fe  Fe299  1  0.410466  0.244027  0.556770  1
  Fe  Fe300  1  0.350571  0.408008  0.567920  1
  Fe  Fe301  1  0.743799  0.910693  0.556770  1
  Fe  Fe302  1  0.683905  0.074674  0.567920  1
  Fe  Fe303  1  0.957109  0.905392  0.579083  1
  Fe  Fe304  1  0.077133  0.077360  0.556770  1
  Fe  Fe305  1  0.017238  0.241341  0.567920  1
  Fe  Fe306  1  0.350571  0.908008  0.567920  1
  Fe  Fe307  1  0.908302  0.829537  0.547363  1
  Fe  Fe308  1  0.574969  0.662870  0.547363  1
  Fe  Fe309  1  0.514960  0.826888  0.558540  1
  Fe  Fe310  1  0.908302  0.329537  0.547363  1
  Fe  Fe311  1  0.848293  0.493554  0.558540  1
  Fe  Fe312  1  0.788261  0.657523  0.569660  1
  Fe  Fe313  1  0.241636  0.496203  0.547363  1
  Fe  Fe314  1  0.181626  0.660221  0.558540  1
  Fe  Fe315  1  0.121595  0.824190  0.569660  1
  Fe  Fe316  1  0.574969  0.162870  0.547363  1
  Fe  Fe317  1  0.514960  0.326888  0.558540  1
  Fe  Fe318  1  0.454928  0.490856  0.569660  1
  Fe  Fe319  1  0.848293  0.993554  0.558540  1
  Fe  Fe320  1  0.788261  0.157523  0.569660  1
  Fe  Fe321  1  0.241636  0.996203  0.547363  1
  Fe  Fe322  1  0.181626  0.160221  0.558540  1
  Fe  Fe323  1  0.121595  0.324190  0.569660  1
  Fe  Fe324  1  0.454928  0.990856  0.569660  1
  Fe  Fe325  1  0.443960  0.730984  0.612625  1
  Fe  Fe326  1  0.110627  0.564317  0.612625  1
  Fe  Fe327  1  0.230355  0.736078  0.590251  1
  Fe  Fe328  1  0.443960  0.230984  0.612625  1
  Fe  Fe329  1  0.563688  0.402744  0.590251  1
  Fe  Fe330  1  0.503823  0.566740  0.601257  1
  Fe  Fe331  1  0.777293  0.397651  0.612625  1
  Fe  Fe332  1  0.897021  0.569411  0.590251  1
  Fe  Fe333  1  0.837156  0.733407  0.601257  1
  Fe  Fe334  1  0.110627  0.064317  0.612625  1
  Fe  Fe335  1  0.230355  0.236078  0.590251  1
  Fe  Fe336  1  0.170489  0.400073  0.601257  1
  Fe  Fe337  1  0.563688  0.902744  0.590251  1
  Fe  Fe338  1  0.503823  0.066740  0.601257  1
  Fe  Fe339  1  0.777293  0.897651  0.612625  1
  Fe  Fe340  1  0.897021  0.069411  0.590251  1
  Fe  Fe341  1  0.837156  0.233407  0.601257  1
  Fe  Fe342  1  0.170489  0.900073  0.601257  1
  Fe  Fe343  1  0.728174  0.821658  0.580841  1
  Fe  Fe344  1  0.394841  0.654991  0.580841  1
  Fe  Fe345  1  0.334805  0.818978  0.592047  1
  Fe  Fe346  1  0.728174  0.321658  0.580841  1
  Fe  Fe347  1  0.668138  0.485644  0.592047  1
  Fe  Fe348  1  0.608271  0.649571  0.603216  1
  Fe  Fe349  1  0.061507  0.488324  0.580841  1
  Fe  Fe350  1  1.001472  0.652311  0.592047  1
  Fe  Fe351  1  0.941604  0.816237  0.603216  1
  Fe  Fe352  1  0.394841  0.154991  0.580841  1
  Fe  Fe353  1  0.334805  0.318978  0.592047  1
  Fe  Fe354  1  0.274938  0.482904  0.603216  1
  Fe  Fe355  1  0.668138  0.985644  0.592047  1
  Fe  Fe356  1  0.608271  0.149571  0.603216  1
  Fe  Fe357  1  0.061507  0.988324  0.580841  1
  Fe  Fe358  1  1.001472  0.152311  0.592047  1
  Fe  Fe359  1  0.941604  0.316237  0.603216  1
  Fe  Fe360  1  0.274938  0.982904  0.603216  1
  Fe  Fe361  1  0.264739  0.722934  0.645849  1
  Fe  Fe362  1  0.931406  0.556268  0.645849  1
  Fe  Fe363  1  0.050236  0.728110  0.623894  1
  Fe  Fe364  1  0.264739  0.222934  0.645849  1
  Fe  Fe365  1  0.383570  0.394777  0.623894  1
  Fe  Fe366  1  0.324027  0.558649  0.634809  1
  Fe  Fe367  1  0.598073  0.389601  0.645849  1
  Fe  Fe368  1  0.716903  0.561443  0.623894  1
  Fe  Fe369  1  0.657360  0.725315  0.634809  1
  Fe  Fe370  1  0.931406  0.056268  0.645849  1
  Fe  Fe371  1  0.050236  0.228110  0.623894  1
  Fe  Fe372  1  0.990693  0.391982  0.634809  1
  Fe  Fe373  1  0.383570  0.894777  0.623894  1
  Fe  Fe374  1  0.324027  0.058649  0.634809  1
  Fe  Fe375  1  0.598073  0.889601  0.645849  1
  Fe  Fe376  1  0.716903  0.061443  0.623894  1
  Fe  Fe377  1  0.657360  0.225315  0.634809  1
  Fe  Fe378  1  0.990693  0.891982  0.634809  1
  Fe  Fe379  1  0.547759  0.813662  0.614461  1
  Fe  Fe380  1  0.214425  0.646995  0.614461  1
  Fe  Fe381  1  0.154240  0.810899  0.625550  1
  Fe  Fe382  1  0.547759  0.313662  0.614461  1
  Fe  Fe383  1  0.487574  0.477566  0.625550  1
  Fe  Fe384  1  0.427908  0.641775  0.636489  1
  Fe  Fe385  1  0.881092  0.480329  0.614461  1
  Fe  Fe386  1  0.820907  0.644233  0.625550  1
  Fe  Fe387  1  0.761241  0.808441  0.636489  1
  Fe  Fe388  1  0.214425  0.146995  0.614461  1
  Fe  Fe389  1  0.154240  0.310899  0.625550  1
  Fe  Fe390  1  0.094575  0.475108  0.636489  1
  Fe  Fe391  1  0.487574  0.977566  0.625550  1
  Fe  Fe392  1  0.427908  0.141775  0.636489  1
  Fe  Fe393  1  0.881092  0.980329  0.614461  1
  Fe  Fe394  1  0.820907  0.144233  0.625550  1
  Fe  Fe395  1  0.761241  0.308441  0.636489  1
  Fe  Fe396  1  0.094575  0.975108  0.636489  1
  Fe  Fe397  1  0.086422  0.715132  0.679191  1
  Fe  Fe398  1  0.753089  0.548465  0.679191  1
  Fe  Fe399  1  0.868652  0.720579  0.656717  1
  Fe  Fe400  1  0.086422  0.215132  0.679191  1
  Fe  Fe401  1  0.201985  0.387246  0.656717  1
  Fe  Fe402  1  0.145522  0.550723  0.667857  1
  Fe  Fe403  1  0.419755  0.381798  0.679191  1
  Fe  Fe404  1  0.535319  0.553913  0.656717  1
  Fe  Fe405  1  0.478855  0.717390  0.667857  1
  Fe  Fe406  1  0.753089  0.048465  0.679191  1
  Fe  Fe407  1  0.868652  0.220579  0.656717  1
  Fe  Fe408  1  0.812189  0.384057  0.667857  1
  Fe  Fe409  1  0.201985  0.887246  0.656717  1
  Fe  Fe410  1  0.145522  0.050723  0.667857  1
  Fe  Fe411  1  0.419755  0.881798  0.679191  1
  Fe  Fe412  1  0.535319  0.053913  0.656717  1
  Fe  Fe413  1  0.478855  0.217390  0.667857  1
  Fe  Fe414  1  0.812189  0.884057  0.667857  1
  Fe  Fe415  1  0.366190  0.806150  0.648145  1
  Fe  Fe416  1  0.032856  0.639483  0.648145  1
  Fe  Fe417  1  0.973726  0.802869  0.659290  1
  Fe  Fe418  1  0.366190  0.306150  0.648145  1
  Fe  Fe419  1  0.307059  0.469536  0.659290  1
  Fe  Fe420  1  0.248722  0.633652  0.669958  1
  Fe  Fe421  1  0.699523  0.472816  0.648145  1
  Fe  Fe422  1  0.640393  0.636202  0.659290  1
  Fe  Fe423  1  0.582055  0.800319  0.669958  1
  Fe  Fe424  1  0.032856  0.139483  0.648145  1
  Fe  Fe425  1  0.973726  0.302869  0.659290  1
  Fe  Fe426  1  0.915388  0.466985  0.669958  1
  Fe  Fe427  1  0.307059  0.969536  0.659290  1
  Fe  Fe428  1  0.248722  0.133652  0.669958  1
  Fe  Fe429  1  0.699523  0.972816  0.648145  1
  Fe  Fe430  1  0.640393  0.136202  0.659290  1
  Fe  Fe431  1  0.582055  0.300319  0.669958  1
  Fe  Fe432  1  0.915388  0.966985  0.669958  1
  Fe  Fe433  1  0.905669  0.707067  0.709442  1
  Fe  Fe434  1  0.572336  0.540400  0.709442  1
  Fe  Fe435  1  0.689510  0.712878  0.690420  1
  Fe  Fe436  1  0.905669  0.207067  0.709442  1
  Fe  Fe437  1  0.022843  0.379545  0.690420  1
  Fe  Fe438  1  0.965374  0.543609  0.699917  1
  Fe  Fe439  1  0.239002  0.373733  0.709442  1
  Fe  Fe440  1  0.356177  0.546212  0.690420  1
  Fe  Fe441  1  0.298708  0.710276  0.699917  1
  Fe  Fe442  1  0.572336  0.040400  0.709442  1
  Fe  Fe443  1  0.689510  0.212878  0.690420  1
  Fe  Fe444  1  0.632041  0.376942  0.699917  1
  Fe  Fe445  1  0.022843  0.879545  0.690420  1
  Fe  Fe446  1  0.965374  0.043609  0.699917  1
  Fe  Fe447  1  0.239002  0.873733  0.709442  1
  Fe  Fe448  1  0.356177  0.046212  0.690420  1
  Fe  Fe449  1  0.298708  0.210276  0.699917  1
  Fe  Fe450  1  0.632041  0.876942  0.699917  1
  Fe  Fe451  1  0.184526  0.797909  0.681070  1
  Fe  Fe452  1  0.851193  0.631243  0.681070  1
  Fe  Fe453  1  0.793600  0.795682  0.691835  1
  Fe  Fe454  1  0.184526  0.297909  0.681070  1
  Fe  Fe455  1  0.126934  0.462349  0.691835  1
  Fe  Fe456  1  0.067008  0.625542  0.701690  1
  Fe  Fe457  1  0.517860  0.464576  0.681070  1
  Fe  Fe458  1  0.460267  0.629015  0.691835  1
  Fe  Fe459  1  0.400341  0.792208  0.701690  1
  Fe  Fe460  1  0.851193  0.131243  0.681070  1
  Fe  Fe461  1  0.793600  0.295682  0.691835  1
  Fe  Fe462  1  0.733674  0.458875  0.701690  1
  Fe  Fe463  1  0.126934  0.962349  0.691835  1
  Fe  Fe464  1  0.067008  0.125542  0.701690  1
  Fe  Fe465  1  0.517860  0.964576  0.681070  1
  Fe  Fe466  1  0.460267  0.129015  0.691835  1
  Fe  Fe467  1  0.400341  0.292208  0.701690  1
  Fe  Fe468  1  0.733674  0.958875  0.701690  1
