# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.25517686
_cell_length_b   25.46221177
_cell_length_c   46.41882993
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.57188109
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe468
_cell_volume   13123.0914979
_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  0.013609  0.801193  0.318877  1
  Fe  Fe2  1  0.680275  0.634526  0.318877  1
  Fe  Fe3  1  0.788004  0.806510  0.299403  1
  Fe  Fe4  1  0.013609  0.301193  0.318877  1
  Fe  Fe5  1  0.121337  0.473177  0.299403  1
  Fe  Fe6  1  0.067795  0.635350  0.309061  1
  Fe  Fe7  1  0.346942  0.467860  0.318877  1
  Fe  Fe8  1  0.454671  0.639844  0.299403  1
  Fe  Fe9  1  0.401128  0.802016  0.309061  1
  Fe  Fe10  1  0.680275  0.134526  0.318877  1
  Fe  Fe11  1  0.788004  0.306510  0.299403  1
  Fe  Fe12  1  0.734461  0.468683  0.309061  1
  Fe  Fe13  1  0.121337  0.973177  0.299403  1
  Fe  Fe14  1  0.067795  0.135350  0.309061  1
  Fe  Fe15  1  0.346942  0.967860  0.318877  1
  Fe  Fe16  1  0.454671  0.139844  0.299403  1
  Fe  Fe17  1  0.401128  0.302016  0.309061  1
  Fe  Fe18  1  0.734461  0.968683  0.309061  1
  Fe  Fe19  1  0.262518  0.887505  0.303982  1
  Fe  Fe20  1  0.929185  0.720838  0.303982  1
  Fe  Fe21  1  0.876717  0.885336  0.313973  1
  Fe  Fe22  1  0.262518  0.387505  0.303982  1
  Fe  Fe23  1  0.210051  0.552002  0.313973  1
  Fe  Fe24  1  0.151160  0.716858  0.323745  1
  Fe  Fe25  1  0.595852  0.554172  0.303982  1
  Fe  Fe26  1  0.543384  0.718669  0.313973  1
  Fe  Fe27  1  0.484493  0.883525  0.323745  1
  Fe  Fe28  1  0.929185  0.220838  0.303982  1
  Fe  Fe29  1  0.876717  0.385336  0.313973  1
  Fe  Fe30  1  0.817826  0.550192  0.323745  1
  Fe  Fe31  1  0.210051  0.052002  0.313973  1
  Fe  Fe32  1  0.151160  0.216858  0.323745  1
  Fe  Fe33  1  0.595852  0.054172  0.303982  1
  Fe  Fe34  1  0.543384  0.218669  0.313973  1
  Fe  Fe35  1  0.484493  0.383525  0.323745  1
  Fe  Fe36  1  0.817826  0.050192  0.323745  1
  Fe  Fe37  1  0.842291  0.795212  0.350382  1
  Fe  Fe38  1  0.508958  0.628546  0.350382  1
  Fe  Fe39  1  0.617281  0.799467  0.330121  1
  Fe  Fe40  1  0.842291  0.295212  0.350382  1
  Fe  Fe41  1  0.950615  0.466133  0.330121  1
  Fe  Fe42  1  0.894602  0.632017  0.339610  1
  Fe  Fe43  1  0.175624  0.461879  0.350382  1
  Fe  Fe44  1  0.283948  0.632800  0.330121  1
  Fe  Fe45  1  0.227935  0.798684  0.339610  1
  Fe  Fe46  1  0.508958  0.128546  0.350382  1
  Fe  Fe47  1  0.617281  0.299467  0.330121  1
  Fe  Fe48  1  0.561269  0.465350  0.339610  1
  Fe  Fe49  1  0.950615  0.966133  0.330121  1
  Fe  Fe50  1  0.894602  0.132017  0.339610  1
  Fe  Fe51  1  0.175624  0.961879  0.350382  1
  Fe  Fe52  1  0.283948  0.132800  0.330121  1
  Fe  Fe53  1  0.227935  0.298684  0.339610  1
  Fe  Fe54  1  0.561269  0.965350  0.339610  1
  Fe  Fe55  1  0.090045  0.883268  0.334568  1
  Fe  Fe56  1  0.756712  0.716602  0.334568  1
  Fe  Fe57  1  0.701114  0.879767  0.343942  1
  Fe  Fe58  1  0.090045  0.383268  0.334568  1
  Fe  Fe59  1  0.034447  0.546434  0.343942  1
  Fe  Fe60  1  0.980462  0.710674  0.355357  1
  Fe  Fe61  1  0.423378  0.549935  0.334568  1
  Fe  Fe62  1  0.367780  0.713100  0.343942  1
  Fe  Fe63  1  0.313795  0.877341  0.355357  1
  Fe  Fe64  1  0.756712  0.216602  0.334568  1
  Fe  Fe65  1  0.701114  0.379767  0.343942  1
  Fe  Fe66  1  0.647128  0.544007  0.355357  1
  Fe  Fe67  1  0.034447  0.046434  0.343942  1
  Fe  Fe68  1  0.980462  0.210674  0.355357  1
  Fe  Fe69  1  0.423378  0.049935  0.334568  1
  Fe  Fe70  1  0.367780  0.213100  0.343942  1
  Fe  Fe71  1  0.313795  0.377341  0.355357  1
  Fe  Fe72  1  0.647128  0.044007  0.355357  1
  Fe  Fe73  1  0.670640  0.788499  0.381303  1
  Fe  Fe74  1  0.337307  0.621833  0.381303  1
  Fe  Fe75  1  0.449307  0.792566  0.360794  1
  Fe  Fe76  1  0.670640  0.288499  0.381303  1
  Fe  Fe77  1  0.782641  0.459233  0.360794  1
  Fe  Fe78  1  0.727007  0.623995  0.370905  1
  Fe  Fe79  1  0.003973  0.455166  0.381303  1
  Fe  Fe80  1  0.115974  0.625899  0.360794  1
  Fe  Fe81  1  0.060341  0.790661  0.370905  1
  Fe  Fe82  1  0.337307  0.121833  0.381303  1
  Fe  Fe83  1  0.449307  0.292566  0.360794  1
  Fe  Fe84  1  0.393674  0.457328  0.370905  1
  Fe  Fe85  1  0.782641  0.959233  0.360794  1
  Fe  Fe86  1  0.727007  0.123995  0.370905  1
  Fe  Fe87  1  0.003973  0.955166  0.381303  1
  Fe  Fe88  1  0.115974  0.125899  0.360794  1
  Fe  Fe89  1  0.060341  0.290661  0.370905  1
  Fe  Fe90  1  0.393674  0.957328  0.370905  1
  Fe  Fe91  1  0.921963  0.875018  0.365900  1
  Fe  Fe92  1  0.588629  0.708351  0.365900  1
  Fe  Fe93  1  0.531850  0.872843  0.375906  1
  Fe  Fe94  1  0.921963  0.375018  0.365900  1
  Fe  Fe95  1  0.865183  0.539510  0.375906  1
  Fe  Fe96  1  0.808826  0.704045  0.386313  1
  Fe  Fe97  1  0.255296  0.541685  0.365900  1
  Fe  Fe98  1  0.198516  0.706177  0.375906  1
  Fe  Fe99  1  0.142159  0.870712  0.386313  1
  Fe  Fe100  1  0.588629  0.208351  0.365900  1
  Fe  Fe101  1  0.531850  0.372843  0.375906  1
  Fe  Fe102  1  0.475493  0.537379  0.386313  1
  Fe  Fe103  1  0.865183  0.039510  0.375906  1
  Fe  Fe104  1  0.808826  0.204045  0.386313  1
  Fe  Fe105  1  0.255296  0.041685  0.365900  1
  Fe  Fe106  1  0.198516  0.206177  0.375906  1
  Fe  Fe107  1  0.142159  0.370712  0.386313  1
  Fe  Fe108  1  0.475493  0.037379  0.386313  1
  Fe  Fe109  1  0.500434  0.781411  0.412432  1
  Fe  Fe110  1  0.167101  0.614744  0.412432  1
  Fe  Fe111  1  0.279410  0.786056  0.391451  1
  Fe  Fe112  1  0.500434  0.281411  0.412432  1
  Fe  Fe113  1  0.612743  0.452723  0.391451  1
  Fe  Fe114  1  0.557162  0.617170  0.402153  1
  Fe  Fe115  1  0.833767  0.448078  0.412432  1
  Fe  Fe116  1  0.946077  0.619390  0.391451  1
  Fe  Fe117  1  0.890495  0.783837  0.402153  1
  Fe  Fe118  1  0.167101  0.114744  0.412432  1
  Fe  Fe119  1  0.279410  0.286056  0.391451  1
  Fe  Fe120  1  0.223829  0.450503  0.402153  1
  Fe  Fe121  1  0.612743  0.952723  0.391451  1
  Fe  Fe122  1  0.557162  0.117170  0.402153  1
  Fe  Fe123  1  0.833767  0.948078  0.412432  1
  Fe  Fe124  1  0.946077  0.119390  0.391451  1
  Fe  Fe125  1  0.890495  0.283837  0.402153  1
  Fe  Fe126  1  0.223829  0.950503  0.402153  1
  Fe  Fe127  1  0.751222  0.868374  0.396534  1
  Fe  Fe128  1  0.417889  0.701708  0.396534  1
  Fe  Fe129  1  0.362011  0.865869  0.407240  1
  Fe  Fe130  1  0.751222  0.368374  0.396534  1
  Fe  Fe131  1  0.695345  0.532536  0.407240  1
  Fe  Fe132  1  0.638986  0.697052  0.417634  1
  Fe  Fe133  1  0.084556  0.535041  0.396534  1
  Fe  Fe134  1  0.028678  0.699202  0.407240  1
  Fe  Fe135  1  0.972319  0.863718  0.417634  1
  Fe  Fe136  1  0.417889  0.201708  0.396534  1
  Fe  Fe137  1  0.362011  0.365869  0.407240  1
  Fe  Fe138  1  0.305653  0.530385  0.417634  1
  Fe  Fe139  1  0.695345  0.032536  0.407240  1
  Fe  Fe140  1  0.638986  0.197052  0.417634  1
  Fe  Fe141  1  0.084556  0.035041  0.396534  1
  Fe  Fe142  1  0.028678  0.199202  0.407240  1
  Fe  Fe143  1  0.972319  0.363718  0.417634  1
  Fe  Fe144  1  0.305653  0.030385  0.417634  1
  Fe  Fe145  1  0.330089  0.774641  0.443426  1
  Fe  Fe146  1  0.996756  0.607974  0.443426  1
  Fe  Fe147  1  0.110189  0.779189  0.422764  1
  Fe  Fe148  1  0.330089  0.274641  0.443426  1
  Fe  Fe149  1  0.443523  0.445855  0.422764  1
  Fe  Fe150  1  0.386936  0.610328  0.433153  1
  Fe  Fe151  1  0.663423  0.441308  0.443426  1
  Fe  Fe152  1  0.776856  0.612522  0.422764  1
  Fe  Fe153  1  0.720270  0.776994  0.433153  1
  Fe  Fe154  1  0.996756  0.107974  0.443426  1
  Fe  Fe155  1  0.110189  0.279189  0.422764  1
  Fe  Fe156  1  0.053603  0.443661  0.433153  1
  Fe  Fe157  1  0.443523  0.945855  0.422764  1
  Fe  Fe158  1  0.386936  0.110328  0.433153  1
  Fe  Fe159  1  0.663423  0.941308  0.443426  1
  Fe  Fe160  1  0.776856  0.112522  0.422764  1
  Fe  Fe161  1  0.720270  0.276994  0.433153  1
  Fe  Fe162  1  0.053603  0.943661  0.433153  1
  Fe  Fe163  1  0.581803  0.861411  0.427896  1
  Fe  Fe164  1  0.248469  0.694745  0.427896  1
  Fe  Fe165  1  0.191798  0.859133  0.438284  1
  Fe  Fe166  1  0.581803  0.361411  0.427896  1
  Fe  Fe167  1  0.525131  0.525800  0.438284  1
  Fe  Fe168  1  0.468519  0.690214  0.448617  1
  Fe  Fe169  1  0.915136  0.528078  0.427896  1
  Fe  Fe170  1  0.858465  0.692466  0.438284  1
  Fe  Fe171  1  0.801853  0.856881  0.448617  1
  Fe  Fe172  1  0.248469  0.194745  0.427896  1
  Fe  Fe173  1  0.191798  0.359133  0.438284  1
  Fe  Fe174  1  0.135186  0.523548  0.448617  1
  Fe  Fe175  1  0.525131  0.025800  0.438284  1
  Fe  Fe176  1  0.468519  0.190214  0.448617  1
  Fe  Fe177  1  0.915136  0.028078  0.427896  1
  Fe  Fe178  1  0.858465  0.192466  0.438284  1
  Fe  Fe179  1  0.801853  0.356881  0.448617  1
  Fe  Fe180  1  0.135186  0.023548  0.448617  1
  Fe  Fe181  1  0.160253  0.767762  0.474633  1
  Fe  Fe182  1  0.826919  0.601095  0.474633  1
  Fe  Fe183  1  0.940303  0.772348  0.453955  1
  Fe  Fe184  1  0.160253  0.267762  0.474633  1
  Fe  Fe185  1  0.273636  0.439015  0.453955  1
  Fe  Fe186  1  0.216977  0.603374  0.464298  1
  Fe  Fe187  1  0.493586  0.434429  0.474633  1
  Fe  Fe188  1  0.606969  0.605682  0.453955  1
  Fe  Fe189  1  0.550310  0.770041  0.464298  1
  Fe  Fe190  1  0.826919  0.101095  0.474633  1
  Fe  Fe191  1  0.940303  0.272348  0.453955  1
  Fe  Fe192  1  0.883644  0.436708  0.464298  1
  Fe  Fe193  1  0.273636  0.939015  0.453955  1
  Fe  Fe194  1  0.216977  0.103374  0.464298  1
  Fe  Fe195  1  0.493586  0.934429  0.474633  1
  Fe  Fe196  1  0.606969  0.105682  0.453955  1
  Fe  Fe197  1  0.550310  0.270041  0.464298  1
  Fe  Fe198  1  0.883644  0.936708  0.464298  1
  Fe  Fe199  1  0.411945  0.854494  0.459098  1
  Fe  Fe200  1  0.078611  0.687827  0.459098  1
  Fe  Fe201  1  0.021983  0.852251  0.469497  1
  Fe  Fe202  1  0.411945  0.354494  0.459098  1
  Fe  Fe203  1  0.355316  0.518917  0.469497  1
  Fe  Fe204  1  0.298596  0.683313  0.479806  1
  Fe  Fe205  1  0.745278  0.521161  0.459098  1
  Fe  Fe206  1  0.688650  0.685584  0.469497  1
  Fe  Fe207  1  0.631930  0.849980  0.479806  1
  Fe  Fe208  1  0.078611  0.187827  0.459098  1
  Fe  Fe209  1  0.021983  0.352251  0.469497  1
  Fe  Fe210  1  0.965263  0.516646  0.479806  1
  Fe  Fe211  1  0.355316  0.018917  0.469497  1
  Fe  Fe212  1  0.298596  0.183313  0.479806  1
  Fe  Fe213  1  0.745278  0.021161  0.459098  1
  Fe  Fe214  1  0.688650  0.185584  0.469497  1
  Fe  Fe215  1  0.631930  0.349980  0.479806  1
  Fe  Fe216  1  0.965263  0.016646  0.479806  1
  Fe  Fe217  1  0.990331  0.760900  0.505818  1
  Fe  Fe218  1  0.656998  0.594233  0.505818  1
  Fe  Fe219  1  0.770208  0.765515  0.485028  1
  Fe  Fe220  1  0.990331  0.260900  0.505818  1
  Fe  Fe221  1  0.103541  0.432182  0.485028  1
  Fe  Fe222  1  0.046916  0.596522  0.495396  1
  Fe  Fe223  1  0.323665  0.427566  0.505818  1
  Fe  Fe224  1  0.436875  0.598848  0.485028  1
  Fe  Fe225  1  0.380250  0.763189  0.495396  1
  Fe  Fe226  1  0.656998  0.094233  0.505818  1
  Fe  Fe227  1  0.770208  0.265515  0.485028  1
  Fe  Fe228  1  0.713583  0.429855  0.495396  1
  Fe  Fe229  1  0.103541  0.932182  0.485028  1
  Fe  Fe230  1  0.046916  0.096522  0.495396  1
  Fe  Fe231  1  0.323665  0.927566  0.505818  1
  Fe  Fe232  1  0.436875  0.098848  0.485028  1
  Fe  Fe233  1  0.380250  0.263189  0.495396  1
  Fe  Fe234  1  0.713583  0.929855  0.495396  1
  Fe  Fe235  1  0.241853  0.847681  0.490183  1
  Fe  Fe236  1  0.908520  0.681014  0.490183  1
  Fe  Fe237  1  0.851934  0.845392  0.500606  1
  Fe  Fe238  1  0.241853  0.347681  0.490183  1
  Fe  Fe239  1  0.185268  0.512059  0.500606  1
  Fe  Fe240  1  0.128643  0.676399  0.510974  1
  Fe  Fe241  1  0.575186  0.514348  0.490183  1
  Fe  Fe242  1  0.518601  0.678725  0.500606  1
  Fe  Fe243  1  0.461976  0.843066  0.510974  1
  Fe  Fe244  1  0.908520  0.181014  0.490183  1
  Fe  Fe245  1  0.851934  0.345392  0.500606  1
  Fe  Fe246  1  0.795309  0.509732  0.510974  1
  Fe  Fe247  1  0.185268  0.012059  0.500606  1
  Fe  Fe248  1  0.128643  0.176399  0.510974  1
  Fe  Fe249  1  0.575186  0.014348  0.490183  1
  Fe  Fe250  1  0.518601  0.178725  0.500606  1
  Fe  Fe251  1  0.461976  0.343066  0.510974  1
  Fe  Fe252  1  0.795309  0.009732  0.510974  1
  Fe  Fe253  1  0.820239  0.754087  0.536903  1
  Fe  Fe254  1  0.486906  0.587420  0.536903  1
  Fe  Fe255  1  0.600254  0.758601  0.516195  1
  Fe  Fe256  1  0.820239  0.254087  0.536903  1
  Fe  Fe257  1  0.933588  0.425268  0.516195  1
  Fe  Fe258  1  0.876868  0.589663  0.526505  1
  Fe  Fe259  1  0.153573  0.420754  0.536903  1
  Fe  Fe260  1  0.266921  0.591934  0.516195  1
  Fe  Fe261  1  0.210201  0.756330  0.526505  1
  Fe  Fe262  1  0.486906  0.087420  0.536903  1
  Fe  Fe263  1  0.600254  0.258601  0.516195  1
  Fe  Fe264  1  0.543535  0.422997  0.526505  1
  Fe  Fe265  1  0.933588  0.925268  0.516195  1
  Fe  Fe266  1  0.876868  0.089663  0.526505  1
  Fe  Fe267  1  0.153573  0.920754  0.536903  1
  Fe  Fe268  1  0.266921  0.091934  0.516195  1
  Fe  Fe269  1  0.210201  0.256330  0.526505  1
  Fe  Fe270  1  0.543535  0.922997  0.526505  1
  Fe  Fe271  1  0.071932  0.840819  0.521369  1
  Fe  Fe272  1  0.738598  0.674152  0.521369  1
  Fe  Fe273  1  0.681874  0.838540  0.531703  1
  Fe  Fe274  1  0.071932  0.340819  0.521369  1
  Fe  Fe275  1  0.015207  0.505207  0.531703  1
  Fe  Fe276  1  0.958548  0.669566  0.542047  1
  Fe  Fe277  1  0.405265  0.507485  0.521369  1
  Fe  Fe278  1  0.348541  0.671873  0.531703  1
  Fe  Fe279  1  0.291882  0.836233  0.542047  1
  Fe  Fe280  1  0.738598  0.174152  0.521369  1
  Fe  Fe281  1  0.681874  0.338540  0.531703  1
  Fe  Fe282  1  0.625215  0.502899  0.542047  1
  Fe  Fe283  1  0.015207  0.005207  0.531703  1
  Fe  Fe284  1  0.958548  0.169566  0.542047  1
  Fe  Fe285  1  0.405265  0.007485  0.521369  1
  Fe  Fe286  1  0.348541  0.171873  0.531703  1
  Fe  Fe287  1  0.291882  0.336233  0.542047  1
  Fe  Fe288  1  0.625215  0.002899  0.542047  1
  Fe  Fe289  1  0.650382  0.747170  0.568105  1
  Fe  Fe290  1  0.317048  0.580503  0.568105  1
  Fe  Fe291  1  0.430332  0.751700  0.547385  1
  Fe  Fe292  1  0.650382  0.247170  0.568105  1
  Fe  Fe293  1  0.763665  0.418366  0.547385  1
  Fe  Fe294  1  0.707053  0.582781  0.557717  1
  Fe  Fe295  1  0.983715  0.413836  0.568105  1
  Fe  Fe296  1  0.096998  0.585033  0.547385  1
  Fe  Fe297  1  0.040386  0.749448  0.557717  1
  Fe  Fe298  1  0.317048  0.080503  0.568105  1
  Fe  Fe299  1  0.430332  0.251700  0.547385  1
  Fe  Fe300  1  0.373719  0.416115  0.557717  1
  Fe  Fe301  1  0.763665  0.918366  0.547385  1
  Fe  Fe302  1  0.707053  0.082781  0.557717  1
  Fe  Fe303  1  0.983715  0.913836  0.568105  1
  Fe  Fe304  1  0.096998  0.085033  0.547385  1
  Fe  Fe305  1  0.040386  0.249448  0.557717  1
  Fe  Fe306  1  0.373719  0.916115  0.557717  1
  Fe  Fe307  1  0.902095  0.833940  0.552575  1
  Fe  Fe308  1  0.568761  0.667273  0.552575  1
  Fe  Fe309  1  0.511914  0.831587  0.562849  1
  Fe  Fe310  1  0.902095  0.333940  0.552575  1
  Fe  Fe311  1  0.845248  0.498253  0.562849  1
  Fe  Fe312  1  0.788662  0.662726  0.573237  1
  Fe  Fe313  1  0.235428  0.500607  0.552575  1
  Fe  Fe314  1  0.178581  0.664920  0.562849  1
  Fe  Fe315  1  0.121995  0.829392  0.573237  1
  Fe  Fe316  1  0.568761  0.167273  0.552575  1
  Fe  Fe317  1  0.511914  0.331587  0.562849  1
  Fe  Fe318  1  0.455328  0.496059  0.573237  1
  Fe  Fe319  1  0.845248  0.998253  0.562849  1
  Fe  Fe320  1  0.788662  0.162726  0.573237  1
  Fe  Fe321  1  0.235428  1.000607  0.552575  1
  Fe  Fe322  1  0.178581  0.164920  0.562849  1
  Fe  Fe323  1  0.121995  0.329392  0.573237  1
  Fe  Fe324  1  0.455328  0.996059  0.573237  1
  Fe  Fe325  1  0.480962  0.740207  0.599467  1
  Fe  Fe326  1  0.147628  0.573540  0.599467  1
  Fe  Fe327  1  0.259865  0.744863  0.578368  1
  Fe  Fe328  1  0.480962  0.240207  0.599467  1
  Fe  Fe329  1  0.593198  0.411529  0.578368  1
  Fe  Fe330  1  0.536840  0.576045  0.588762  1
  Fe  Fe331  1  0.814295  0.406873  0.599467  1
  Fe  Fe332  1  0.926531  0.578196  0.578368  1
  Fe  Fe333  1  0.870173  0.742712  0.588762  1
  Fe  Fe334  1  0.147628  0.073540  0.599467  1
  Fe  Fe335  1  0.259865  0.244863  0.578368  1
  Fe  Fe336  1  0.203506  0.409379  0.588762  1
  Fe  Fe337  1  0.593198  0.911529  0.578368  1
  Fe  Fe338  1  0.536840  0.076045  0.588762  1
  Fe  Fe339  1  0.814295  0.906873  0.599467  1
  Fe  Fe340  1  0.926531  0.078196  0.578368  1
  Fe  Fe341  1  0.870173  0.242712  0.588762  1
  Fe  Fe342  1  0.203506  0.909379  0.588762  1
  Fe  Fe343  1  0.731750  0.827170  0.583570  1
  Fe  Fe344  1  0.398417  0.660503  0.583570  1
  Fe  Fe345  1  0.341689  0.824744  0.593849  1
  Fe  Fe346  1  0.731750  0.327170  0.583570  1
  Fe  Fe347  1  0.675022  0.491411  0.593849  1
  Fe  Fe348  1  0.619441  0.655858  0.604551  1
  Fe  Fe349  1  0.065084  0.493836  0.583570  1
  Fe  Fe350  1  0.008356  0.658077  0.593849  1
  Fe  Fe351  1  0.952774  0.822524  0.604551  1
  Fe  Fe352  1  0.398417  0.160503  0.583570  1
  Fe  Fe353  1  0.341689  0.324744  0.593849  1
  Fe  Fe354  1  0.286107  0.489191  0.604551  1
  Fe  Fe355  1  0.675022  0.991411  0.593849  1
  Fe  Fe356  1  0.619441  0.155858  0.604551  1
  Fe  Fe357  1  0.065084  0.993836  0.583570  1
  Fe  Fe358  1  0.008356  0.158077  0.593849  1
  Fe  Fe359  1  0.952774  0.322524  0.604551  1
  Fe  Fe360  1  0.286107  0.989191  0.604551  1
  Fe  Fe361  1  0.310222  0.733563  0.630102  1
  Fe  Fe362  1  0.976888  0.566896  0.630102  1
  Fe  Fe363  1  0.090025  0.737869  0.609689  1
  Fe  Fe364  1  0.310222  0.233563  0.630102  1
  Fe  Fe365  1  0.423358  0.404535  0.609689  1
  Fe  Fe366  1  0.367001  0.569071  0.620096  1
  Fe  Fe367  1  0.643555  0.400229  0.630102  1
  Fe  Fe368  1  0.756692  0.571202  0.609689  1
  Fe  Fe369  1  0.700335  0.735737  0.620096  1
  Fe  Fe370  1  0.976888  0.066896  0.630102  1
  Fe  Fe371  1  0.090025  0.237869  0.609689  1
  Fe  Fe372  1  0.033668  0.402404  0.620096  1
  Fe  Fe373  1  0.423358  0.904535  0.609689  1
  Fe  Fe374  1  0.367001  0.069071  0.620096  1
  Fe  Fe375  1  0.643555  0.900229  0.630102  1
  Fe  Fe376  1  0.756692  0.071202  0.609689  1
  Fe  Fe377  1  0.700335  0.235737  0.620096  1
  Fe  Fe378  1  0.033668  0.902404  0.620096  1
  Fe  Fe379  1  0.561544  0.820082  0.614698  1
  Fe  Fe380  1  0.228211  0.653415  0.614698  1
  Fe  Fe381  1  0.171844  0.817919  0.625096  1
  Fe  Fe382  1  0.561544  0.320082  0.614698  1
  Fe  Fe383  1  0.505177  0.484586  0.625096  1
  Fe  Fe384  1  0.449544  0.649348  0.635208  1
  Fe  Fe385  1  0.894878  0.486748  0.614698  1
  Fe  Fe386  1  0.838510  0.651253  0.625096  1
  Fe  Fe387  1  0.782877  0.816015  0.635208  1
  Fe  Fe388  1  0.228211  0.153415  0.614698  1
  Fe  Fe389  1  0.171844  0.317919  0.625096  1
  Fe  Fe390  1  0.116210  0.482682  0.635208  1
  Fe  Fe391  1  0.505177  0.984586  0.625096  1
  Fe  Fe392  1  0.449544  0.149348  0.635208  1
  Fe  Fe393  1  0.894878  0.986748  0.614698  1
  Fe  Fe394  1  0.838510  0.151253  0.625096  1
  Fe  Fe395  1  0.782877  0.316015  0.635208  1
  Fe  Fe396  1  0.116210  0.982682  0.635208  1
  Fe  Fe397  1  0.142139  0.725312  0.661434  1
  Fe  Fe398  1  0.808806  0.558646  0.661434  1
  Fe  Fe399  1  0.918389  0.731240  0.640644  1
  Fe  Fe400  1  0.142139  0.225312  0.661434  1
  Fe  Fe401  1  0.251722  0.397907  0.640644  1
  Fe  Fe402  1  0.197737  0.562147  0.652060  1
  Fe  Fe403  1  0.475472  0.391979  0.661434  1
  Fe  Fe404  1  0.585056  0.564573  0.640644  1
  Fe  Fe405  1  0.531071  0.728814  0.652060  1
  Fe  Fe406  1  0.808806  0.058646  0.661434  1
  Fe  Fe407  1  0.918389  0.231240  0.640644  1
  Fe  Fe408  1  0.864404  0.395480  0.652060  1
  Fe  Fe409  1  0.251722  0.897907  0.640644  1
  Fe  Fe410  1  0.197737  0.062147  0.652060  1
  Fe  Fe411  1  0.475472  0.891979  0.661434  1
  Fe  Fe412  1  0.585056  0.064573  0.640644  1
  Fe  Fe413  1  0.531071  0.228814  0.652060  1
  Fe  Fe414  1  0.864404  0.895480  0.652060  1
  Fe  Fe415  1  0.389893  0.813368  0.645619  1
  Fe  Fe416  1  0.056560  0.646702  0.645619  1
  Fe  Fe417  1  0.004249  0.809897  0.656391  1
  Fe  Fe418  1  0.389893  0.313368  0.645619  1
  Fe  Fe419  1  0.337582  0.476564  0.656391  1
  Fe  Fe420  1  0.281569  0.642448  0.665880  1
  Fe  Fe421  1  0.723227  0.480035  0.645619  1
  Fe  Fe422  1  0.670915  0.643230  0.656391  1
  Fe  Fe423  1  0.614903  0.809114  0.665880  1
  Fe  Fe424  1  0.056560  0.146702  0.645619  1
  Fe  Fe425  1  0.004249  0.309897  0.656391  1
  Fe  Fe426  1  0.948236  0.475781  0.665880  1
  Fe  Fe427  1  0.337582  0.976564  0.656391  1
  Fe  Fe428  1  0.281569  0.142448  0.665880  1
  Fe  Fe429  1  0.723227  0.980035  0.645619  1
  Fe  Fe430  1  0.670915  0.143230  0.656391  1
  Fe  Fe431  1  0.614903  0.309114  0.665880  1
  Fe  Fe432  1  0.948236  0.975781  0.665880  1
  Fe  Fe433  1  0.969666  0.721076  0.692020  1
  Fe  Fe434  1  0.636333  0.554409  0.692020  1
  Fe  Fe435  1  0.747691  0.725056  0.672257  1
  Fe  Fe436  1  0.969666  0.221076  0.692020  1
  Fe  Fe437  1  0.081024  0.391722  0.672257  1
  Fe  Fe438  1  0.022133  0.556578  0.682029  1
  Fe  Fe439  1  0.302999  0.387742  0.692020  1
  Fe  Fe440  1  0.414358  0.558389  0.672257  1
  Fe  Fe441  1  0.355467  0.723245  0.682029  1
  Fe  Fe442  1  0.636333  0.054409  0.692020  1
  Fe  Fe443  1  0.747691  0.225056  0.672257  1
  Fe  Fe444  1  0.688800  0.389912  0.682029  1
  Fe  Fe445  1  0.081024  0.891722  0.672257  1
  Fe  Fe446  1  0.022133  0.056578  0.682029  1
  Fe  Fe447  1  0.302999  0.887742  0.692020  1
  Fe  Fe448  1  0.414358  0.058389  0.672257  1
  Fe  Fe449  1  0.355467  0.223245  0.682029  1
  Fe  Fe450  1  0.688800  0.889912  0.682029  1
  Fe  Fe451  1  0.218576  0.807388  0.677124  1
  Fe  Fe452  1  0.885242  0.640721  0.677124  1
  Fe  Fe453  1  0.831056  0.806564  0.686941  1
  Fe  Fe454  1  0.218576  0.307388  0.677124  1
  Fe  Fe455  1  0.164390  0.473231  0.686941  1
  Fe  Fe456  1  0.110847  0.635404  0.696599  1
  Fe  Fe457  1  0.551909  0.474054  0.677124  1
  Fe  Fe458  1  0.497723  0.639898  0.686941  1
  Fe  Fe459  1  0.444180  0.802071  0.696599  1
  Fe  Fe460  1  0.885242  0.140721  0.677124  1
  Fe  Fe461  1  0.831056  0.306564  0.686941  1
  Fe  Fe462  1  0.777513  0.468737  0.696599  1
  Fe  Fe463  1  0.164390  0.973231  0.686941  1
  Fe  Fe464  1  0.110847  0.135404  0.696599  1
  Fe  Fe465  1  0.551909  0.974054  0.677124  1
  Fe  Fe466  1  0.497723  0.139898  0.686941  1
  Fe  Fe467  1  0.444180  0.302071  0.696599  1
  Fe  Fe468  1  0.777513  0.968737  0.696599  1
