# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.25780076
_cell_length_b   25.46122282
_cell_length_c   46.40729586
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.57188622
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe468
_cell_volume   13122.3798032
_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  0.013350  0.801218  0.318969  1
  Fe  Fe2  1  0.680016  0.634551  0.318969  1
  Fe  Fe3  1  0.787760  0.806536  0.299492  1
  Fe  Fe4  1  0.013350  0.301218  0.318969  1
  Fe  Fe5  1  0.121093  0.473202  0.299492  1
  Fe  Fe6  1  0.067540  0.635374  0.309151  1
  Fe  Fe7  1  0.346683  0.467884  0.318969  1
  Fe  Fe8  1  0.454427  0.639869  0.299492  1
  Fe  Fe9  1  0.400873  0.802041  0.309151  1
  Fe  Fe10  1  0.680016  0.134551  0.318969  1
  Fe  Fe11  1  0.787760  0.306536  0.299492  1
  Fe  Fe12  1  0.734206  0.468707  0.309151  1
  Fe  Fe13  1  0.121093  0.973202  0.299492  1
  Fe  Fe14  1  0.067540  0.135374  0.309151  1
  Fe  Fe15  1  0.346683  0.967884  0.318969  1
  Fe  Fe16  1  0.454427  0.139869  0.299492  1
  Fe  Fe17  1  0.400873  0.302041  0.309151  1
  Fe  Fe18  1  0.734206  0.968707  0.309151  1
  Fe  Fe19  1  0.262264  0.887529  0.304071  1
  Fe  Fe20  1  0.928930  0.720862  0.304071  1
  Fe  Fe21  1  0.876471  0.885363  0.314064  1
  Fe  Fe22  1  0.262264  0.387529  0.304071  1
  Fe  Fe23  1  0.209804  0.552029  0.314064  1
  Fe  Fe24  1  0.150903  0.716883  0.323837  1
  Fe  Fe25  1  0.595597  0.554196  0.304071  1
  Fe  Fe26  1  0.543138  0.718696  0.314064  1
  Fe  Fe27  1  0.484237  0.883550  0.323837  1
  Fe  Fe28  1  0.928930  0.220862  0.304071  1
  Fe  Fe29  1  0.876471  0.385363  0.314064  1
  Fe  Fe30  1  0.817570  0.550216  0.323837  1
  Fe  Fe31  1  0.209804  0.052029  0.314064  1
  Fe  Fe32  1  0.150903  0.216883  0.323837  1
  Fe  Fe33  1  0.595597  0.054196  0.304071  1
  Fe  Fe34  1  0.543138  0.218696  0.314064  1
  Fe  Fe35  1  0.484237  0.383550  0.323837  1
  Fe  Fe36  1  0.817570  0.050216  0.323837  1
  Fe  Fe37  1  0.842058  0.795236  0.350480  1
  Fe  Fe38  1  0.508725  0.628569  0.350480  1
  Fe  Fe39  1  0.617046  0.799494  0.330213  1
  Fe  Fe40  1  0.842058  0.295236  0.350480  1
  Fe  Fe41  1  0.950379  0.466160  0.330213  1
  Fe  Fe42  1  0.894363  0.632040  0.339704  1
  Fe  Fe43  1  0.175391  0.461902  0.350480  1
  Fe  Fe44  1  0.283712  0.632827  0.330213  1
  Fe  Fe45  1  0.227697  0.798707  0.339704  1
  Fe  Fe46  1  0.508725  0.128569  0.350480  1
  Fe  Fe47  1  0.617046  0.299494  0.330213  1
  Fe  Fe48  1  0.561030  0.465373  0.339704  1
  Fe  Fe49  1  0.950379  0.966160  0.330213  1
  Fe  Fe50  1  0.894363  0.132040  0.339704  1
  Fe  Fe51  1  0.175391  0.961902  0.350480  1
  Fe  Fe52  1  0.283712  0.132827  0.330213  1
  Fe  Fe53  1  0.227697  0.298707  0.339704  1
  Fe  Fe54  1  0.561030  0.965373  0.339704  1
  Fe  Fe55  1  0.089804  0.883292  0.334660  1
  Fe  Fe56  1  0.756471  0.716625  0.334660  1
  Fe  Fe57  1  0.700887  0.879792  0.344038  1
  Fe  Fe58  1  0.089804  0.383292  0.334660  1
  Fe  Fe59  1  0.034220  0.546459  0.344038  1
  Fe  Fe60  1  0.980231  0.710697  0.355456  1
  Fe  Fe61  1  0.423138  0.549959  0.334660  1
  Fe  Fe62  1  0.367553  0.713126  0.344038  1
  Fe  Fe63  1  0.313564  0.877364  0.355456  1
  Fe  Fe64  1  0.756471  0.216625  0.334660  1
  Fe  Fe65  1  0.700887  0.379792  0.344038  1
  Fe  Fe66  1  0.646898  0.544030  0.355456  1
  Fe  Fe67  1  0.034220  0.046459  0.344038  1
  Fe  Fe68  1  0.980231  0.210697  0.355456  1
  Fe  Fe69  1  0.423138  0.049959  0.334660  1
  Fe  Fe70  1  0.367553  0.213126  0.344038  1
  Fe  Fe71  1  0.313564  0.377364  0.355456  1
  Fe  Fe72  1  0.646898  0.044030  0.355456  1
  Fe  Fe73  1  0.670430  0.788522  0.381405  1
  Fe  Fe74  1  0.337097  0.621856  0.381405  1
  Fe  Fe75  1  0.449090  0.792590  0.360893  1
  Fe  Fe76  1  0.670430  0.288522  0.381405  1
  Fe  Fe77  1  0.782423  0.459257  0.360893  1
  Fe  Fe78  1  0.726791  0.624017  0.371006  1
  Fe  Fe79  1  1.003764  0.455189  0.381405  1
  Fe  Fe80  1  0.115757  0.625924  0.360893  1
  Fe  Fe81  1  0.060124  0.790684  0.371006  1
  Fe  Fe82  1  0.337097  0.121856  0.381405  1
  Fe  Fe83  1  0.449090  0.292590  0.360893  1
  Fe  Fe84  1  0.393458  0.457351  0.371006  1
  Fe  Fe85  1  0.782423  0.959257  0.360893  1
  Fe  Fe86  1  0.726791  0.124017  0.371006  1
  Fe  Fe87  1  1.003764  0.955189  0.381405  1
  Fe  Fe88  1  0.115757  0.125924  0.360893  1
  Fe  Fe89  1  0.060124  0.290684  0.371006  1
  Fe  Fe90  1  0.393458  0.957351  0.371006  1
  Fe  Fe91  1  0.921744  0.875042  0.366000  1
  Fe  Fe92  1  0.588411  0.708375  0.366000  1
  Fe  Fe93  1  0.531641  0.872867  0.376007  1
  Fe  Fe94  1  0.921744  0.375042  0.366000  1
  Fe  Fe95  1  0.864974  0.539534  0.376007  1
  Fe  Fe96  1  0.808619  0.704068  0.386416  1
  Fe  Fe97  1  0.255078  0.541708  0.366000  1
  Fe  Fe98  1  0.198308  0.706201  0.376007  1
  Fe  Fe99  1  0.141952  0.870735  0.386416  1
  Fe  Fe100  1  0.588411  0.208375  0.366000  1
  Fe  Fe101  1  0.531641  0.372867  0.376007  1
  Fe  Fe102  1  0.475286  0.537401  0.386416  1
  Fe  Fe103  1  0.864974  0.039534  0.376007  1
  Fe  Fe104  1  0.808619  0.204068  0.386416  1
  Fe  Fe105  1  0.255078  0.041708  0.366000  1
  Fe  Fe106  1  0.198308  0.206201  0.376007  1
  Fe  Fe107  1  0.141952  0.370735  0.386416  1
  Fe  Fe108  1  0.475286  0.037401  0.386416  1
  Fe  Fe109  1  0.500248  0.781433  0.412540  1
  Fe  Fe110  1  0.166915  0.614767  0.412540  1
  Fe  Fe111  1  0.279212  0.786079  0.391555  1
  Fe  Fe112  1  0.500248  0.281433  0.412540  1
  Fe  Fe113  1  0.612546  0.452746  0.391555  1
  Fe  Fe114  1  0.556968  0.617192  0.402259  1
  Fe  Fe115  1  0.833581  0.448100  0.412540  1
  Fe  Fe116  1  0.945879  0.619413  0.391555  1
  Fe  Fe117  1  0.890301  0.783859  0.402259  1
  Fe  Fe118  1  0.166915  0.114767  0.412540  1
  Fe  Fe119  1  0.279212  0.286079  0.391555  1
  Fe  Fe120  1  0.223635  0.450525  0.402259  1
  Fe  Fe121  1  0.612546  0.952746  0.391555  1
  Fe  Fe122  1  0.556968  0.117192  0.402259  1
  Fe  Fe123  1  0.833581  0.948100  0.412540  1
  Fe  Fe124  1  0.945879  0.119413  0.391555  1
  Fe  Fe125  1  0.890301  0.283859  0.402259  1
  Fe  Fe126  1  0.223635  0.950525  0.402259  1
  Fe  Fe127  1  0.751027  0.868397  0.396640  1
  Fe  Fe128  1  0.417694  0.701730  0.396640  1
  Fe  Fe129  1  0.361823  0.865891  0.407347  1
  Fe  Fe130  1  0.751027  0.368397  0.396640  1
  Fe  Fe131  1  0.695157  0.532558  0.407347  1
  Fe  Fe132  1  0.638803  0.697073  0.417743  1
  Fe  Fe133  1  0.084360  0.535063  0.396640  1
  Fe  Fe134  1  0.028490  0.699225  0.407347  1
  Fe  Fe135  1  0.972136  0.863740  0.417743  1
  Fe  Fe136  1  0.417694  0.201730  0.396640  1
  Fe  Fe137  1  0.361823  0.365891  0.407347  1
  Fe  Fe138  1  0.305469  0.530407  0.417743  1
  Fe  Fe139  1  0.695157  0.032558  0.407347  1
  Fe  Fe140  1  0.638803  0.197073  0.417743  1
  Fe  Fe141  1  0.084360  0.035063  0.396640  1
  Fe  Fe142  1  0.028490  0.199225  0.407347  1
  Fe  Fe143  1  0.972136  0.363740  0.417743  1
  Fe  Fe144  1  0.305469  0.030407  0.417743  1
  Fe  Fe145  1  0.329926  0.774662  0.443540  1
  Fe  Fe146  1  0.996593  0.607996  0.443540  1
  Fe  Fe147  1  0.110012  0.779211  0.422874  1
  Fe  Fe148  1  0.329926  0.274662  0.443540  1
  Fe  Fe149  1  0.443346  0.445877  0.422874  1
  Fe  Fe150  1  0.386765  0.610349  0.433264  1
  Fe  Fe151  1  0.663259  0.441329  0.443540  1
  Fe  Fe152  1  0.776679  0.612544  0.422874  1
  Fe  Fe153  1  0.720098  0.777016  0.433264  1
  Fe  Fe154  1  0.996593  0.107996  0.443540  1
  Fe  Fe155  1  0.110012  0.279211  0.422874  1
  Fe  Fe156  1  0.053431  0.443682  0.433264  1
  Fe  Fe157  1  0.443346  0.945877  0.422874  1
  Fe  Fe158  1  0.386765  0.110349  0.433264  1
  Fe  Fe159  1  0.663259  0.941329  0.443540  1
  Fe  Fe160  1  0.776679  0.112544  0.422874  1
  Fe  Fe161  1  0.720098  0.277016  0.433264  1
  Fe  Fe162  1  0.053431  0.943682  0.433264  1
  Fe  Fe163  1  0.581629  0.861433  0.428007  1
  Fe  Fe164  1  0.248295  0.694766  0.428007  1
  Fe  Fe165  1  0.191632  0.859154  0.438397  1
  Fe  Fe166  1  0.581629  0.361433  0.428007  1
  Fe  Fe167  1  0.524965  0.525821  0.438397  1
  Fe  Fe168  1  0.468359  0.690235  0.448732  1
  Fe  Fe169  1  0.914962  0.528100  0.428007  1
  Fe  Fe170  1  0.858298  0.692488  0.438397  1
  Fe  Fe171  1  0.801692  0.856902  0.448732  1
  Fe  Fe172  1  0.248295  0.194766  0.428007  1
  Fe  Fe173  1  0.191632  0.359154  0.438397  1
  Fe  Fe174  1  0.135026  0.523569  0.448732  1
  Fe  Fe175  1  0.524965  0.025821  0.438397  1
  Fe  Fe176  1  0.468359  0.190235  0.448732  1
  Fe  Fe177  1  0.914962  0.028100  0.428007  1
  Fe  Fe178  1  0.858298  0.192488  0.438397  1
  Fe  Fe179  1  0.801692  0.356902  0.448732  1
  Fe  Fe180  1  0.135026  0.023569  0.448732  1
  Fe  Fe181  1  0.160111  0.767782  0.474752  1
  Fe  Fe182  1  0.826778  0.601116  0.474752  1
  Fe  Fe183  1  0.940147  0.772369  0.454071  1
  Fe  Fe184  1  0.160111  0.267782  0.474752  1
  Fe  Fe185  1  0.273480  0.439036  0.454071  1
  Fe  Fe186  1  0.216828  0.603395  0.464416  1
  Fe  Fe187  1  0.493445  0.434449  0.474752  1
  Fe  Fe188  1  0.606814  0.605702  0.454071  1
  Fe  Fe189  1  0.550161  0.770061  0.464416  1
  Fe  Fe190  1  0.826778  0.101116  0.474752  1
  Fe  Fe191  1  0.940147  0.272369  0.454071  1
  Fe  Fe192  1  0.883494  0.436728  0.464416  1
  Fe  Fe193  1  0.273480  0.939036  0.454071  1
  Fe  Fe194  1  0.216828  0.103395  0.464416  1
  Fe  Fe195  1  0.493445  0.934449  0.474752  1
  Fe  Fe196  1  0.606814  0.105702  0.454071  1
  Fe  Fe197  1  0.550161  0.270061  0.464416  1
  Fe  Fe198  1  0.883494  0.936728  0.464416  1
  Fe  Fe199  1  0.411793  0.854515  0.459215  1
  Fe  Fe200  1  0.078459  0.687848  0.459215  1
  Fe  Fe201  1  0.021838  0.852271  0.469615  1
  Fe  Fe202  1  0.411793  0.354515  0.459215  1
  Fe  Fe203  1  0.355171  0.518938  0.469615  1
  Fe  Fe204  1  0.298458  0.683333  0.479927  1
  Fe  Fe205  1  0.745126  0.521181  0.459215  1
  Fe  Fe206  1  0.688505  0.685605  0.469615  1
  Fe  Fe207  1  0.631792  0.850000  0.479927  1
  Fe  Fe208  1  0.078459  0.187848  0.459215  1
  Fe  Fe209  1  0.021838  0.352271  0.469615  1
  Fe  Fe210  1  0.965125  0.516667  0.479927  1
  Fe  Fe211  1  0.355171  0.018938  0.469615  1
  Fe  Fe212  1  0.298458  0.183333  0.479927  1
  Fe  Fe213  1  0.745126  0.021181  0.459215  1
  Fe  Fe214  1  0.688505  0.185605  0.469615  1
  Fe  Fe215  1  0.631792  0.350000  0.479927  1
  Fe  Fe216  1  0.965125  0.016667  0.479927  1
  Fe  Fe217  1  0.990212  0.760919  0.505943  1
  Fe  Fe218  1  0.656879  0.594252  0.505943  1
  Fe  Fe219  1  0.770074  0.765535  0.485149  1
  Fe  Fe220  1  0.990212  0.260919  0.505943  1
  Fe  Fe221  1  0.103408  0.432202  0.485149  1
  Fe  Fe222  1  0.046789  0.596542  0.495519  1
  Fe  Fe223  1  0.323545  0.427586  0.505943  1
  Fe  Fe224  1  0.436741  0.598868  0.485149  1
  Fe  Fe225  1  0.380123  0.763209  0.495519  1
  Fe  Fe226  1  0.656879  0.094252  0.505943  1
  Fe  Fe227  1  0.770074  0.265535  0.485149  1
  Fe  Fe228  1  0.713456  0.429875  0.495519  1
  Fe  Fe229  1  0.103408  0.932202  0.485149  1
  Fe  Fe230  1  0.046789  0.096542  0.495519  1
  Fe  Fe231  1  0.323545  0.927586  0.505943  1
  Fe  Fe232  1  0.436741  0.098868  0.485149  1
  Fe  Fe233  1  0.380123  0.263209  0.495519  1
  Fe  Fe234  1  0.713456  0.929875  0.495519  1
  Fe  Fe235  1  0.241723  0.847701  0.490305  1
  Fe  Fe236  1  0.908389  0.681034  0.490305  1
  Fe  Fe237  1  0.851812  0.845412  0.500730  1
  Fe  Fe238  1  0.241723  0.347701  0.490305  1
  Fe  Fe239  1  0.185145  0.512078  0.500730  1
  Fe  Fe240  1  0.128527  0.676418  0.511100  1
  Fe  Fe241  1  0.575056  0.514368  0.490305  1
  Fe  Fe242  1  0.518478  0.678745  0.500730  1
  Fe  Fe243  1  0.461860  0.843085  0.511100  1
  Fe  Fe244  1  0.908389  0.181034  0.490305  1
  Fe  Fe245  1  0.851812  0.345412  0.500730  1
  Fe  Fe246  1  0.795194  0.509752  0.511100  1
  Fe  Fe247  1  0.185145  0.012078  0.500730  1
  Fe  Fe248  1  0.128527  0.176418  0.511100  1
  Fe  Fe249  1  0.575056  0.014368  0.490305  1
  Fe  Fe250  1  0.518478  0.178745  0.500730  1
  Fe  Fe251  1  0.461860  0.343085  0.511100  1
  Fe  Fe252  1  0.795194  0.009752  0.511100  1
  Fe  Fe253  1  0.820142  0.754105  0.537034  1
  Fe  Fe254  1  0.486808  0.587439  0.537034  1
  Fe  Fe255  1  0.600143  0.758620  0.516322  1
  Fe  Fe256  1  0.820142  0.254105  0.537034  1
  Fe  Fe257  1  0.933476  0.425287  0.516322  1
  Fe  Fe258  1  0.876763  0.589682  0.526633  1
  Fe  Fe259  1  0.153475  0.420772  0.537034  1
  Fe  Fe260  1  0.266809  0.591954  0.516322  1
  Fe  Fe261  1  0.210097  0.756349  0.526633  1
  Fe  Fe262  1  0.486808  0.087439  0.537034  1
  Fe  Fe263  1  0.600143  0.258620  0.516322  1
  Fe  Fe264  1  0.543430  0.423016  0.526633  1
  Fe  Fe265  1  0.933476  0.925287  0.516322  1
  Fe  Fe266  1  0.876763  0.089682  0.526633  1
  Fe  Fe267  1  0.153475  0.920772  0.537034  1
  Fe  Fe268  1  0.266809  0.091954  0.516322  1
  Fe  Fe269  1  0.210097  0.256349  0.526633  1
  Fe  Fe270  1  0.543430  0.923016  0.526633  1
  Fe  Fe271  1  0.071823  0.840838  0.521496  1
  Fe  Fe272  1  0.738490  0.674171  0.521496  1
  Fe  Fe273  1  0.681773  0.838559  0.531833  1
  Fe  Fe274  1  0.071823  0.340838  0.521496  1
  Fe  Fe275  1  0.015107  0.505225  0.531833  1
  Fe  Fe276  1  0.958454  0.669584  0.542178  1
  Fe  Fe277  1  0.405156  0.507504  0.521496  1
  Fe  Fe278  1  0.348440  0.671892  0.531833  1
  Fe  Fe279  1  0.291787  0.836251  0.542178  1
  Fe  Fe280  1  0.738490  0.174171  0.521496  1
  Fe  Fe281  1  0.681773  0.338559  0.531833  1
  Fe  Fe282  1  0.625121  0.502918  0.542178  1
  Fe  Fe283  1  0.015107  0.005225  0.531833  1
  Fe  Fe284  1  0.958454  0.169584  0.542178  1
  Fe  Fe285  1  0.405156  0.007504  0.521496  1
  Fe  Fe286  1  0.348440  0.171892  0.531833  1
  Fe  Fe287  1  0.291787  0.336251  0.542178  1
  Fe  Fe288  1  0.625121  0.002918  0.542178  1
  Fe  Fe289  1  0.650306  0.747187  0.568242  1
  Fe  Fe290  1  0.316972  0.580520  0.568242  1
  Fe  Fe291  1  0.430242  0.751718  0.547517  1
  Fe  Fe292  1  0.650306  0.247187  0.568242  1
  Fe  Fe293  1  0.763576  0.418385  0.547517  1
  Fe  Fe294  1  0.706970  0.582799  0.557852  1
  Fe  Fe295  1  0.983639  0.413854  0.568242  1
  Fe  Fe296  1  0.096909  0.585052  0.547517  1
  Fe  Fe297  1  0.040303  0.749466  0.557852  1
  Fe  Fe298  1  0.316972  0.080520  0.568242  1
  Fe  Fe299  1  0.430242  0.251718  0.547517  1
  Fe  Fe300  1  0.373636  0.416133  0.557852  1
  Fe  Fe301  1  0.763576  0.918385  0.547517  1
  Fe  Fe302  1  0.706970  0.082799  0.557852  1
  Fe  Fe303  1  0.983639  0.913854  0.568242  1
  Fe  Fe304  1  0.096909  0.085052  0.547517  1
  Fe  Fe305  1  0.040303  0.249466  0.557852  1
  Fe  Fe306  1  0.373636  0.916133  0.557852  1
  Fe  Fe307  1  0.902008  0.833958  0.552709  1
  Fe  Fe308  1  0.568675  0.667291  0.552709  1
  Fe  Fe309  1  0.511836  0.831605  0.562984  1
  Fe  Fe310  1  0.902008  0.333958  0.552709  1
  Fe  Fe311  1  0.845170  0.498271  0.562984  1
  Fe  Fe312  1  0.788589  0.662743  0.573374  1
  Fe  Fe313  1  0.235342  0.500625  0.552709  1
  Fe  Fe314  1  0.178503  0.664938  0.562984  1
  Fe  Fe315  1  0.121922  0.829410  0.573374  1
  Fe  Fe316  1  0.568675  0.167291  0.552709  1
  Fe  Fe317  1  0.511836  0.331605  0.562984  1
  Fe  Fe318  1  0.455256  0.496076  0.573374  1
  Fe  Fe319  1  0.845170  0.998271  0.562984  1
  Fe  Fe320  1  0.788589  0.162743  0.573374  1
  Fe  Fe321  1  0.235342  1.000625  0.552709  1
  Fe  Fe322  1  0.178503  0.164938  0.562984  1
  Fe  Fe323  1  0.121922  0.329410  0.573374  1
  Fe  Fe324  1  0.455256  0.996076  0.573374  1
  Fe  Fe325  1  0.480907  0.740223  0.599609  1
  Fe  Fe326  1  0.147574  0.573557  0.599609  1
  Fe  Fe327  1  0.259799  0.744880  0.578506  1
  Fe  Fe328  1  0.480907  0.240223  0.599609  1
  Fe  Fe329  1  0.593132  0.411547  0.578506  1
  Fe  Fe330  1  0.536778  0.576062  0.588902  1
  Fe  Fe331  1  0.814241  0.406890  0.599609  1
  Fe  Fe332  1  0.926465  0.578214  0.578506  1
  Fe  Fe333  1  0.870111  0.742729  0.588902  1
  Fe  Fe334  1  0.147574  0.073557  0.599609  1
  Fe  Fe335  1  0.259799  0.244880  0.578506  1
  Fe  Fe336  1  0.203444  0.409396  0.588902  1
  Fe  Fe337  1  0.593132  0.911547  0.578506  1
  Fe  Fe338  1  0.536778  0.076062  0.588902  1
  Fe  Fe339  1  0.814241  0.906890  0.599609  1
  Fe  Fe340  1  0.926465  0.078214  0.578506  1
  Fe  Fe341  1  0.870111  0.242729  0.588902  1
  Fe  Fe342  1  0.203444  0.909396  0.588902  1
  Fe  Fe343  1  0.731686  0.827187  0.583709  1
  Fe  Fe344  1  0.398353  0.660520  0.583709  1
  Fe  Fe345  1  0.341633  0.824762  0.593990  1
  Fe  Fe346  1  0.731686  0.327187  0.583709  1
  Fe  Fe347  1  0.674966  0.491428  0.593990  1
  Fe  Fe348  1  0.619389  0.655874  0.604694  1
  Fe  Fe349  1  0.065020  0.493854  0.583709  1
  Fe  Fe350  1  0.008300  0.658095  0.593990  1
  Fe  Fe351  1  0.952722  0.822541  0.604694  1
  Fe  Fe352  1  0.398353  0.160520  0.583709  1
  Fe  Fe353  1  0.341633  0.324762  0.593990  1
  Fe  Fe354  1  0.286055  0.489207  0.604694  1
  Fe  Fe355  1  0.674966  0.991428  0.593990  1
  Fe  Fe356  1  0.619389  0.155874  0.604694  1
  Fe  Fe357  1  0.065020  0.993854  0.583709  1
  Fe  Fe358  1  0.008300  0.158095  0.593990  1
  Fe  Fe359  1  0.952722  0.322541  0.604694  1
  Fe  Fe360  1  0.286055  0.989207  0.604694  1
  Fe  Fe361  1  0.310190  0.733579  0.630249  1
  Fe  Fe362  1  0.976857  0.566912  0.630249  1
  Fe  Fe363  1  0.089982  0.737886  0.609833  1
  Fe  Fe364  1  0.310190  0.233579  0.630249  1
  Fe  Fe365  1  0.423315  0.404552  0.609833  1
  Fe  Fe366  1  0.366960  0.569086  0.620242  1
  Fe  Fe367  1  0.643523  0.400245  0.630249  1
  Fe  Fe368  1  0.756649  0.571219  0.609833  1
  Fe  Fe369  1  0.700293  0.735753  0.620242  1
  Fe  Fe370  1  0.976857  0.066912  0.630249  1
  Fe  Fe371  1  0.089982  0.237886  0.609833  1
  Fe  Fe372  1  0.033627  0.402420  0.620242  1
  Fe  Fe373  1  0.423315  0.904552  0.609833  1
  Fe  Fe374  1  0.366960  0.069086  0.620242  1
  Fe  Fe375  1  0.643523  0.900245  0.630249  1
  Fe  Fe376  1  0.756649  0.071219  0.609833  1
  Fe  Fe377  1  0.700293  0.235753  0.620242  1
  Fe  Fe378  1  0.033627  0.902420  0.620242  1
  Fe  Fe379  1  0.561504  0.820098  0.614843  1
  Fe  Fe380  1  0.228171  0.653431  0.614843  1
  Fe  Fe381  1  0.171810  0.817936  0.625243  1
  Fe  Fe382  1  0.561504  0.320098  0.614843  1
  Fe  Fe383  1  0.505143  0.484603  0.625243  1
  Fe  Fe384  1  0.449511  0.649363  0.635356  1
  Fe  Fe385  1  0.894838  0.486764  0.614843  1
  Fe  Fe386  1  0.838477  0.651269  0.625243  1
  Fe  Fe387  1  0.782844  0.816030  0.635356  1
  Fe  Fe388  1  0.228171  0.153431  0.614843  1
  Fe  Fe389  1  0.171810  0.317936  0.625243  1
  Fe  Fe390  1  0.116178  0.482696  0.635356  1
  Fe  Fe391  1  0.505143  0.984603  0.625243  1
  Fe  Fe392  1  0.449511  0.149363  0.635356  1
  Fe  Fe393  1  0.894838  0.986764  0.614843  1
  Fe  Fe394  1  0.838477  0.151269  0.625243  1
  Fe  Fe395  1  0.782844  0.316030  0.635356  1
  Fe  Fe396  1  0.116178  0.982696  0.635356  1
  Fe  Fe397  1  0.142130  0.725328  0.661589  1
  Fe  Fe398  1  0.808797  0.558661  0.661589  1
  Fe  Fe399  1  0.918370  0.731257  0.640793  1
  Fe  Fe400  1  0.142130  0.225328  0.661589  1
  Fe  Fe401  1  0.251704  0.397923  0.640793  1
  Fe  Fe402  1  0.197714  0.562161  0.652211  1
  Fe  Fe403  1  0.475464  0.391995  0.661589  1
  Fe  Fe404  1  0.585037  0.564590  0.640793  1
  Fe  Fe405  1  0.531048  0.728828  0.652211  1
  Fe  Fe406  1  0.808797  0.058661  0.661589  1
  Fe  Fe407  1  0.918370  0.231257  0.640793  1
  Fe  Fe408  1  0.864381  0.395495  0.652211  1
  Fe  Fe409  1  0.251704  0.897923  0.640793  1
  Fe  Fe410  1  0.197714  0.062161  0.652211  1
  Fe  Fe411  1  0.475464  0.891995  0.661589  1
  Fe  Fe412  1  0.585037  0.064590  0.640793  1
  Fe  Fe413  1  0.531048  0.228828  0.652211  1
  Fe  Fe414  1  0.864381  0.895495  0.652211  1
  Fe  Fe415  1  0.389876  0.813385  0.645769  1
  Fe  Fe416  1  0.056543  0.646718  0.645769  1
  Fe  Fe417  1  0.004238  0.809914  0.656545  1
  Fe  Fe418  1  0.389876  0.313385  0.645769  1
  Fe  Fe419  1  0.337571  0.476580  0.656545  1
  Fe  Fe420  1  0.281555  0.642460  0.666035  1
  Fe  Fe421  1  0.723210  0.480051  0.645769  1
  Fe  Fe422  1  0.670904  0.643247  0.656545  1
  Fe  Fe423  1  0.614889  0.809127  0.666035  1
  Fe  Fe424  1  0.056543  0.146718  0.645769  1
  Fe  Fe425  1  0.004238  0.309914  0.656545  1
  Fe  Fe426  1  0.948222  0.475793  0.666035  1
  Fe  Fe427  1  0.337571  0.976580  0.656545  1
  Fe  Fe428  1  0.281555  0.142460  0.666035  1
  Fe  Fe429  1  0.723210  0.980051  0.645769  1
  Fe  Fe430  1  0.670904  0.143247  0.656545  1
  Fe  Fe431  1  0.614889  0.309127  0.666035  1
  Fe  Fe432  1  0.948222  0.975793  0.666035  1
  Fe  Fe433  1  0.969671  0.721091  0.692178  1
  Fe  Fe434  1  0.636337  0.554424  0.692178  1
  Fe  Fe435  1  0.747698  0.725071  0.672412  1
  Fe  Fe436  1  0.969671  0.221091  0.692178  1
  Fe  Fe437  1  0.081031  0.391737  0.672412  1
  Fe  Fe438  1  0.022130  0.556591  0.682185  1
  Fe  Fe439  1  0.303004  0.387758  0.692178  1
  Fe  Fe440  1  0.414364  0.558404  0.672412  1
  Fe  Fe441  1  0.355463  0.723257  0.682185  1
  Fe  Fe442  1  0.636337  0.054424  0.692178  1
  Fe  Fe443  1  0.747698  0.225071  0.672412  1
  Fe  Fe444  1  0.688797  0.389924  0.682185  1
  Fe  Fe445  1  0.081031  0.891737  0.672412  1
  Fe  Fe446  1  0.022130  0.056591  0.682185  1
  Fe  Fe447  1  0.303004  0.887758  0.692178  1
  Fe  Fe448  1  0.414364  0.058404  0.672412  1
  Fe  Fe449  1  0.355463  0.223257  0.682185  1
  Fe  Fe450  1  0.688797  0.889924  0.682185  1
  Fe  Fe451  1  0.218585  0.807403  0.677280  1
  Fe  Fe452  1  0.885251  0.640736  0.677280  1
  Fe  Fe453  1  0.831061  0.806580  0.687098  1
  Fe  Fe454  1  0.218585  0.307403  0.677280  1
  Fe  Fe455  1  0.164395  0.473246  0.687098  1
  Fe  Fe456  1  0.110841  0.635418  0.696757  1
  Fe  Fe457  1  0.551918  0.474069  0.677280  1
  Fe  Fe458  1  0.497728  0.639913  0.687098  1
  Fe  Fe459  1  0.444174  0.802085  0.696757  1
  Fe  Fe460  1  0.885251  0.140736  0.677280  1
  Fe  Fe461  1  0.831061  0.306580  0.687098  1
  Fe  Fe462  1  0.777508  0.468751  0.696757  1
  Fe  Fe463  1  0.164395  0.973246  0.687098  1
  Fe  Fe464  1  0.110841  0.135418  0.696757  1
  Fe  Fe465  1  0.551918  0.974069  0.677280  1
  Fe  Fe466  1  0.497728  0.139913  0.687098  1
  Fe  Fe467  1  0.444174  0.302085  0.696757  1
  Fe  Fe468  1  0.777508  0.968751  0.696757  1
