# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.25204514
_cell_length_b   18.15520671
_cell_length_c   47.12214062
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   129.78597726
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7C3
_chemical_formula_sum   'Fe616 C264'
_cell_volume   15286.1255308
_cell_formula_units_Z   88
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  0.642167  0.727317  0.281307  1
  Fe  Fe2  1  0.142167  0.727317  0.281307  1
  Fe  Fe3  1  0.206815  0.360116  0.302029  1
  Fe  Fe4  1  0.706815  0.360116  0.302029  1
  Fe  Fe5  1  0.586949  0.899886  0.279503  1
  Fe  Fe6  1  0.086949  0.899886  0.279503  1
  Fe  Fe7  1  0.151140  0.527403  0.300916  1
  Fe  Fe8  1  0.651140  0.527403  0.300916  1
  Fe  Fe9  1  0.767390  0.982401  0.271001  1
  Fe  Fe10  1  0.267390  0.982401  0.271001  1
  Fe  Fe11  1  0.338053  0.616921  0.290244  1
  Fe  Fe12  1  0.838053  0.616921  0.290244  1
  Fe  Fe13  1  0.450264  0.788302  0.290014  1
  Fe  Fe14  1  0.950264  0.788302  0.290014  1
  Fe  Fe15  1  0.015284  0.414668  0.310238  1
  Fe  Fe16  1  0.515284  0.414668  0.310238  1
  Fe  Fe17  1  0.778899  0.116876  0.290249  1
  Fe  Fe18  1  0.278899  0.116876  0.290249  1
  Fe  Fe19  1  0.215070  0.482387  0.270984  1
  Fe  Fe20  1  0.715070  0.482387  0.270984  1
  Fe  Fe21  1  0.571433  0.584815  0.310263  1
  Fe  Fe22  1  0.071433  0.584815  0.310263  1
  Fe  Fe23  1  0.012856  0.959524  0.286419  1
  Fe  Fe24  1  0.512856  0.959524  0.286419  1
  Fe  Fe25  1  0.899475  0.914635  0.310204  1
  Fe  Fe26  1  0.399475  0.914635  0.310204  1
  Fe  Fe27  1  0.337977  0.288193  0.290001  1
  Fe  Fe28  1  0.837977  0.288193  0.290001  1
  Fe  Fe29  1  0.446690  0.459435  0.286444  1
  Fe  Fe30  1  0.946690  0.459435  0.286444  1
  Fe  Fe31  1  0.013450  0.084802  0.310291  1
  Fe  Fe32  1  0.513450  0.084802  0.310291  1
  Fe  Fe33  1  0.876231  0.027259  0.300933  1
  Fe  Fe34  1  0.376231  0.027259  0.300933  1
  Fe  Fe35  1  0.312999  0.399854  0.279496  1
  Fe  Fe36  1  0.812999  0.399854  0.279496  1
  Fe  Fe37  1  0.423268  0.568774  0.280915  1
  Fe  Fe38  1  0.923268  0.568774  0.280915  1
  Fe  Fe39  1  0.983817  0.192044  0.302696  1
  Fe  Fe40  1  0.483817  0.192044  0.302696  1
  Fe  Fe41  1  0.653298  0.860059  0.302019  1
  Fe  Fe42  1  0.153298  0.860059  0.302019  1
  Fe  Fe43  1  0.085233  0.227393  0.281293  1
  Fe  Fe44  1  0.585233  0.227393  0.281293  1
  Fe  Fe45  1  0.708360  0.692131  0.302701  1
  Fe  Fe46  1  0.208360  0.692131  0.302701  1
  Fe  Fe47  1  0.145539  0.068781  0.280900  1
  Fe  Fe48  1  0.645539  0.068781  0.280900  1
  Fe  Fe49  1  0.534674  0.729579  0.278642  1
  Fe  Fe50  1  0.034674  0.729579  0.278642  1
  Fe  Fe51  1  0.098569  0.358806  0.300217  1
  Fe  Fe52  1  0.598569  0.358806  0.300217  1
  Fe  Fe53  1  0.760196  0.858768  0.300244  1
  Fe  Fe54  1  0.260196  0.858768  0.300244  1
  Fe  Fe55  1  0.194917  0.229578  0.278666  1
  Fe  Fe56  1  0.694917  0.229578  0.278666  1
  Fe  Fe57  1  0.769144  0.986234  0.323133  1
  Fe  Fe58  1  0.269144  0.986234  0.323133  1
  Fe  Fe59  1  0.333587  0.614816  0.343608  1
  Fe  Fe60  1  0.833587  0.614816  0.343608  1
  Fe  Fe61  1  0.717002  0.155040  0.322592  1
  Fe  Fe62  1  0.217002  0.155040  0.322592  1
  Fe  Fe63  1  0.279948  0.783259  0.343437  1
  Fe  Fe64  1  0.779948  0.783259  0.343437  1
  Fe  Fe65  1  0.902223  0.241648  0.311963  1
  Fe  Fe66  1  0.402223  0.241648  0.311963  1
  Fe  Fe67  1  0.466812  0.871979  0.333053  1
  Fe  Fe68  1  0.966812  0.871979  0.333053  1
  Fe  Fe69  1  0.582053  0.041254  0.331637  1
  Fe  Fe70  1  0.082053  0.041254  0.331637  1
  Fe  Fe71  1  0.146263  0.669607  0.352162  1
  Fe  Fe72  1  0.646263  0.669607  0.352162  1
  Fe  Fe73  1  0.905224  0.371938  0.333044  1
  Fe  Fe74  1  0.405224  0.371938  0.333044  1
  Fe  Fe75  1  0.339460  0.741610  0.311946  1
  Fe  Fe76  1  0.839460  0.741610  0.311946  1
  Fe  Fe77  1  0.699379  0.839539  0.350841  1
  Fe  Fe78  1  0.199379  0.839539  0.350841  1
  Fe  Fe79  1  0.135465  0.212721  0.330835  1
  Fe  Fe80  1  0.635465  0.212721  0.330835  1
  Fe  Fe81  1  0.023372  0.169561  0.352129  1
  Fe  Fe82  1  0.523372  0.169561  0.352129  1
  Fe  Fe83  1  0.459235  0.541196  0.331611  1
  Fe  Fe84  1  0.959235  0.541196  0.331611  1
  Fe  Fe85  1  0.577260  0.712662  0.330822  1
  Fe  Fe86  1  0.077260  0.712662  0.330822  1
  Fe  Fe87  1  0.140190  0.339512  0.350833  1
  Fe  Fe88  1  0.640190  0.339512  0.350833  1
  Fe  Fe89  1  0.003290  0.283141  0.343446  1
  Fe  Fe90  1  0.503290  0.283141  0.343446  1
  Fe  Fe91  1  0.438031  0.654930  0.322599  1
  Fe  Fe92  1  0.938031  0.654930  0.322599  1
  Fe  Fe93  1  0.547741  0.819523  0.322780  1
  Fe  Fe94  1  0.047741  0.819523  0.322780  1
  Fe  Fe95  1  0.112187  0.446522  0.343523  1
  Fe  Fe96  1  0.612187  0.446522  0.343523  1
  Fe  Fe97  1  0.781218  0.114765  0.343605  1
  Fe  Fe98  1  0.281218  0.114765  0.343605  1
  Fe  Fe99  1  0.217071  0.486178  0.323124  1
  Fe  Fe100  1  0.717071  0.486178  0.323124  1
  Fe  Fe101  1  0.834416  0.946541  0.343524  1
  Fe  Fe102  1  0.334416  0.946541  0.343524  1
  Fe  Fe103  1  0.271860  0.319545  0.322782  1
  Fe  Fe104  1  0.771860  0.319545  0.322782  1
  Fe  Fe105  1  0.659066  0.987776  0.324381  1
  Fe  Fe106  1  0.159066  0.987776  0.324381  1
  Fe  Fe107  1  0.224131  0.613688  0.342975  1
  Fe  Fe108  1  0.724131  0.613688  0.342975  1
  Fe  Fe109  1  0.889540  0.113618  0.343000  1
  Fe  Fe110  1  0.389540  0.113618  0.343000  1
  Fe  Fe111  1  0.328679  0.487726  0.324399  1
  Fe  Fe112  1  0.828679  0.487726  0.324399  1
  Fe  Fe113  1  0.898997  0.244071  0.364555  1
  Fe  Fe114  1  0.398997  0.244071  0.364555  1
  Fe  Fe115  1  0.462287  0.871977  0.385194  1
  Fe  Fe116  1  0.962287  0.871977  0.385194  1
  Fe  Fe117  1  0.844263  0.411378  0.363925  1
  Fe  Fe118  1  0.344263  0.411378  0.363925  1
  Fe  Fe119  1  0.408337  0.039867  0.384868  1
  Fe  Fe120  1  0.908337  0.039867  0.384868  1
  Fe  Fe121  1  0.030240  0.499449  0.354240  1
  Fe  Fe122  1  0.530240  0.499449  0.354240  1
  Fe  Fe123  1  0.594791  0.128324  0.374927  1
  Fe  Fe124  1  0.094791  0.128324  0.374927  1
  Fe  Fe125  1  0.709567  0.297700  0.373494  1
  Fe  Fe126  1  0.209567  0.297700  0.373494  1
  Fe  Fe127  1  0.273830  0.926289  0.394408  1
  Fe  Fe128  1  0.773830  0.926289  0.394408  1
  Fe  Fe129  1  0.033576  0.628263  0.374921  1
  Fe  Fe130  1  0.533576  0.628263  0.374921  1
  Fe  Fe131  1  0.469235  0.999362  0.354245  1
  Fe  Fe132  1  0.969235  0.999362  0.354245  1
  Fe  Fe133  1  0.829023  0.096220  0.392203  1
  Fe  Fe134  1  0.329023  0.096220  0.392203  1
  Fe  Fe135  1  0.263619  0.467344  0.371256  1
  Fe  Fe136  1  0.763619  0.467344  0.371256  1
  Fe  Fe137  1  0.152502  0.426230  0.394376  1
  Fe  Fe138  1  0.652502  0.426230  0.394376  1
  Fe  Fe139  1  0.588170  0.797640  0.373463  1
  Fe  Fe140  1  0.088170  0.797640  0.373463  1
  Fe  Fe141  1  0.703749  0.967303  0.371249  1
  Fe  Fe142  1  0.203749  0.967303  0.371249  1
  Fe  Fe143  1  0.267233  0.596177  0.392201  1
  Fe  Fe144  1  0.767233  0.596177  0.392201  1
  Fe  Fe145  1  0.131498  0.539723  0.384874  1
  Fe  Fe146  1  0.631498  0.539723  0.384874  1
  Fe  Fe147  1  0.567115  0.911268  0.363930  1
  Fe  Fe148  1  0.067115  0.911268  0.363930  1
  Fe  Fe149  1  0.676603  0.076631  0.365361  1
  Fe  Fe150  1  0.176603  0.076631  0.365361  1
  Fe  Fe151  1  0.240435  0.704565  0.385727  1
  Fe  Fe152  1  0.740435  0.704565  0.385727  1
  Fe  Fe153  1  0.909661  0.371913  0.385190  1
  Fe  Fe154  1  0.409661  0.371913  0.385190  1
  Fe  Fe155  1  0.345059  0.744009  0.364544  1
  Fe  Fe156  1  0.845059  0.744009  0.364544  1
  Fe  Fe157  1  0.964235  0.204622  0.385733  1
  Fe  Fe158  1  0.464235  0.204622  0.385733  1
  Fe  Fe159  1  0.400123  0.576662  0.365354  1
  Fe  Fe160  1  0.900123  0.576662  0.365354  1
  Fe  Fe161  1  0.788642  0.242154  0.363921  1
  Fe  Fe162  1  0.288642  0.242154  0.363921  1
  Fe  Fe163  1  0.351979  0.870227  0.384420  1
  Fe  Fe164  1  0.851979  0.870227  0.384420  1
  Fe  Fe165  1  0.018254  0.370183  0.384453  1
  Fe  Fe166  1  0.518254  0.370183  0.384453  1
  Fe  Fe167  1  0.453490  0.742089  0.363931  1
  Fe  Fe168  1  0.953490  0.742089  0.363931  1
  Fe  Fe169  1  0.026958  0.500826  0.406142  1
  Fe  Fe170  1  0.526958  0.500826  0.406142  1
  Fe  Fe171  1  0.590536  0.127468  0.426815  1
  Fe  Fe172  1  0.090536  0.127468  0.426815  1
  Fe  Fe173  1  0.971865  0.667764  0.405577  1
  Fe  Fe174  1  0.471865  0.667764  0.405577  1
  Fe  Fe175  1  0.536398  0.295708  0.426521  1
  Fe  Fe176  1  0.036398  0.295708  0.426521  1
  Fe  Fe177  1  0.158009  0.756186  0.396008  1
  Fe  Fe178  1  0.658009  0.756186  0.396008  1
  Fe  Fe179  1  0.722118  0.384007  0.416643  1
  Fe  Fe180  1  0.222118  0.384007  0.416643  1
  Fe  Fe181  1  0.837218  0.553837  0.414764  1
  Fe  Fe182  1  0.337218  0.553837  0.414764  1
  Fe  Fe183  1  0.401624  0.182485  0.435786  1
  Fe  Fe184  1  0.901624  0.182485  0.435786  1
  Fe  Fe185  1  0.161938  0.883941  0.416637  1
  Fe  Fe186  1  0.661938  0.883941  0.416637  1
  Fe  Fe187  1  0.598236  0.256138  0.395997  1
  Fe  Fe188  1  0.098236  0.256138  0.395997  1
  Fe  Fe189  1  0.956623  0.352699  0.433950  1
  Fe  Fe190  1  0.456623  0.352699  0.433950  1
  Fe  Fe191  1  0.391994  0.724248  0.413033  1
  Fe  Fe192  1  0.891994  0.724248  0.413033  1
  Fe  Fe193  1  0.280877  0.682415  0.435754  1
  Fe  Fe194  1  0.780877  0.682415  0.435754  1
  Fe  Fe195  1  0.716647  0.053770  0.414736  1
  Fe  Fe196  1  0.216647  0.053770  0.414736  1
  Fe  Fe197  1  0.832286  0.224216  0.413036  1
  Fe  Fe198  1  0.332286  0.224216  0.413036  1
  Fe  Fe199  1  0.396098  0.852662  0.433941  1
  Fe  Fe200  1  0.896098  0.852662  0.433941  1
  Fe  Fe201  1  0.259290  0.795579  0.426531  1
  Fe  Fe202  1  0.759290  0.795579  0.426531  1
  Fe  Fe203  1  0.695879  0.167633  0.405588  1
  Fe  Fe204  1  0.195879  0.167633  0.405588  1
  Fe  Fe205  1  0.804739  0.332530  0.406405  1
  Fe  Fe206  1  0.304739  0.332530  0.406405  1
  Fe  Fe207  1  0.368731  0.960442  0.427234  1
  Fe  Fe208  1  0.868731  0.960442  0.427234  1
  Fe  Fe209  1  0.036915  0.627414  0.426809  1
  Fe  Fe210  1  0.536915  0.627414  0.426809  1
  Fe  Fe211  1  0.473886  0.000811  0.406138  1
  Fe  Fe212  1  0.973886  0.000811  0.406138  1
  Fe  Fe213  1  0.091805  0.460473  0.427237  1
  Fe  Fe214  1  0.591805  0.460473  0.427237  1
  Fe  Fe215  1  0.527885  0.832565  0.406403  1
  Fe  Fe216  1  0.027885  0.832565  0.406403  1
  Fe  Fe217  1  0.915704  0.498519  0.405701  1
  Fe  Fe218  1  0.415704  0.498519  0.405701  1
  Fe  Fe219  1  0.480858  0.127152  0.426440  1
  Fe  Fe220  1  0.980858  0.127152  0.426440  1
  Fe  Fe221  1  0.146296  0.627095  0.426470  1
  Fe  Fe222  1  0.646296  0.627095  0.426470  1
  Fe  Fe223  1  0.582809  0.998454  0.405730  1
  Fe  Fe224  1  0.082809  0.998454  0.405730  1
  Fe  Fe225  1  0.154580  0.755969  0.447765  1
  Fe  Fe226  1  0.654580  0.755969  0.447765  1
  Fe  Fe227  1  0.718896  0.384043  0.468554  1
  Fe  Fe228  1  0.218896  0.384043  0.468554  1
  Fe  Fe229  1  0.100120  0.923817  0.447181  1
  Fe  Fe230  1  0.600120  0.923817  0.447181  1
  Fe  Fe231  1  0.664253  0.551785  0.468194  1
  Fe  Fe232  1  0.164253  0.551785  0.468194  1
  Fe  Fe233  1  0.286749  0.012666  0.437527  1
  Fe  Fe234  1  0.786749  0.012666  0.437527  1
  Fe  Fe235  1  0.850184  0.639999  0.458420  1
  Fe  Fe236  1  0.350184  0.639999  0.458420  1
  Fe  Fe237  1  0.965679  0.810661  0.456454  1
  Fe  Fe238  1  0.465679  0.810661  0.456454  1
  Fe  Fe239  1  0.529714  0.438513  0.477383  1
  Fe  Fe240  1  0.029714  0.438513  0.477383  1
  Fe  Fe241  1  0.289852  0.139926  0.458417  1
  Fe  Fe242  1  0.789852  0.139926  0.458417  1
  Fe  Fe243  1  0.725960  0.512601  0.437520  1
  Fe  Fe244  1  0.225960  0.512601  0.437520  1
  Fe  Fe245  1  0.084353  0.608430  0.475620  1
  Fe  Fe246  1  0.584353  0.608430  0.475620  1
  Fe  Fe247  1  0.520266  0.980303  0.454664  1
  Fe  Fe248  1  0.020266  0.980303  0.454664  1
  Fe  Fe249  1  0.408826  0.938454  0.477356  1
  Fe  Fe250  1  0.908826  0.938454  0.477356  1
  Fe  Fe251  1  0.845007  0.310604  0.456426  1
  Fe  Fe252  1  0.345007  0.310604  0.456426  1
  Fe  Fe253  1  0.960067  0.480276  0.454664  1
  Fe  Fe254  1  0.460067  0.480276  0.454664  1
  Fe  Fe255  1  0.524106  0.108395  0.475621  1
  Fe  Fe256  1  0.024106  0.108395  0.475621  1
  Fe  Fe257  1  0.387507  0.051653  0.468207  1
  Fe  Fe258  1  0.887507  0.051653  0.468207  1
  Fe  Fe259  1  0.823678  0.423693  0.447190  1
  Fe  Fe260  1  0.323678  0.423693  0.447190  1
  Fe  Fe261  1  0.932608  0.588860  0.448119  1
  Fe  Fe262  1  0.432608  0.588860  0.448119  1
  Fe  Fe263  1  0.496809  0.216747  0.468907  1
  Fe  Fe264  1  0.996809  0.216747  0.468907  1
  Fe  Fe265  1  0.165125  0.883979  0.468549  1
  Fe  Fe266  1  0.665125  0.883979  0.468549  1
  Fe  Fe267  1  0.601380  0.255919  0.447760  1
  Fe  Fe268  1  0.101380  0.255919  0.447760  1
  Fe  Fe269  1  0.220043  0.716793  0.468914  1
  Fe  Fe270  1  0.720043  0.716793  0.468914  1
  Fe  Fe271  1  0.656347  0.088888  0.448124  1
  Fe  Fe272  1  0.156347  0.088888  0.448124  1
  Fe  Fe273  1  0.043698  0.754925  0.447655  1
  Fe  Fe274  1  0.543698  0.754925  0.447655  1
  Fe  Fe275  1  0.608262  0.383294  0.468525  1
  Fe  Fe276  1  0.108262  0.383294  0.468525  1
  Fe  Fe277  1  0.275030  0.883235  0.468558  1
  Fe  Fe278  1  0.775030  0.883235  0.468558  1
  Fe  Fe279  1  0.711219  0.254864  0.447687  1
  Fe  Fe280  1  0.211219  0.254864  0.447687  1
  Fe  Fe281  1  0.282823  0.012549  0.489352  1
  Fe  Fe282  1  0.782823  0.012549  0.489352  1
  Fe  Fe283  1  0.847106  0.640979  0.510327  1
  Fe  Fe284  1  0.347106  0.640979  0.510327  1
  Fe  Fe285  1  0.228160  0.179865  0.488884  1
  Fe  Fe286  1  0.728160  0.179865  0.488884  1
  Fe  Fe287  1  0.792298  0.807487  0.509663  1
  Fe  Fe288  1  0.292298  0.807487  0.509663  1
  Fe  Fe289  1  0.414431  0.268727  0.479029  1
  Fe  Fe290  1  0.914431  0.268727  0.479029  1
  Fe  Fe291  1  0.978727  0.896629  0.499999  1
  Fe  Fe292  1  0.478727  0.896629  0.499999  1
  Fe  Fe293  1  0.093711  0.066728  0.498143  1
  Fe  Fe294  1  0.593711  0.066728  0.498143  1
  Fe  Fe295  1  0.657518  0.694631  0.519035  1
  Fe  Fe296  1  0.157518  0.694631  0.519035  1
  Fe  Fe297  1  0.417942  0.396566  0.499992  1
  Fe  Fe298  1  0.917942  0.396566  0.499992  1
  Fe  Fe299  1  0.854337  0.768663  0.479025  1
  Fe  Fe300  1  0.354337  0.768663  0.479025  1
  Fe  Fe301  1  0.212710  0.864890  0.517129  1
  Fe  Fe302  1  0.712710  0.864890  0.517129  1
  Fe  Fe303  1  0.648621  0.236608  0.496235  1
  Fe  Fe304  1  0.148621  0.236608  0.496235  1
  Fe  Fe305  1  0.537145  0.194576  0.519009  1
  Fe  Fe306  1  0.037145  0.194576  0.519009  1
  Fe  Fe307  1  0.973049  0.566676  0.498114  1
  Fe  Fe308  1  0.473049  0.566676  0.498114  1
  Fe  Fe309  1  0.088013  0.736574  0.496237  1
  Fe  Fe310  1  0.588013  0.736574  0.496237  1
  Fe  Fe311  1  0.652202  0.364852  0.517129  1
  Fe  Fe312  1  0.152202  0.364852  0.517129  1
  Fe  Fe313  1  0.515165  0.307355  0.509673  1
  Fe  Fe314  1  0.015165  0.307355  0.509673  1
  Fe  Fe315  1  0.951685  0.679739  0.488891  1
  Fe  Fe316  1  0.451685  0.679739  0.488891  1
  Fe  Fe317  1  0.060840  0.845151  0.489819  1
  Fe  Fe318  1  0.560840  0.845151  0.489819  1
  Fe  Fe319  1  0.624802  0.473040  0.510721  1
  Fe  Fe320  1  0.124802  0.473040  0.510721  1
  Fe  Fe321  1  0.293858  0.140930  0.510324  1
  Fe  Fe322  1  0.793858  0.140930  0.510324  1
  Fe  Fe323  1  0.729713  0.512501  0.489346  1
  Fe  Fe324  1  0.229713  0.512501  0.489346  1
  Fe  Fe325  1  0.348340  0.973087  0.510730  1
  Fe  Fe326  1  0.848340  0.973087  0.510730  1
  Fe  Fe327  1  0.784411  0.345195  0.489825  1
  Fe  Fe328  1  0.284411  0.345195  0.489825  1
  Fe  Fe329  1  0.172338  0.011075  0.489008  1
  Fe  Fe330  1  0.672338  0.011075  0.489008  1
  Fe  Fe331  1  0.736372  0.639568  0.510014  1
  Fe  Fe332  1  0.236372  0.639568  0.510014  1
  Fe  Fe333  1  0.403189  0.139514  0.510046  1
  Fe  Fe334  1  0.903189  0.139514  0.510046  1
  Fe  Fe335  1  0.838727  0.511021  0.489039  1
  Fe  Fe336  1  0.338727  0.511021  0.489039  1
  Fe  Fe337  1  0.410496  0.268072  0.530845  1
  Fe  Fe338  1  0.910496  0.268072  0.530845  1
  Fe  Fe339  1  0.975283  0.897215  0.551937  1
  Fe  Fe340  1  0.475283  0.897215  0.551937  1
  Fe  Fe341  1  0.356644  0.436722  0.530557  1
  Fe  Fe342  1  0.856644  0.436722  0.530557  1
  Fe  Fe343  1  0.920639  0.065186  0.551534  1
  Fe  Fe344  1  0.420639  0.065186  0.551534  1
  Fe  Fe345  1  0.542677  0.524372  0.520985  1
  Fe  Fe346  1  0.042677  0.524372  0.520985  1
  Fe  Fe347  1  0.106783  0.153158  0.541643  1
  Fe  Fe348  1  0.606783  0.153158  0.541643  1
  Fe  Fe349  1  0.222152  0.323040  0.539853  1
  Fe  Fe350  1  0.722152  0.323040  0.539853  1
  Fe  Fe351  1  0.786280  0.950862  0.560490  1
  Fe  Fe352  1  0.286280  0.950862  0.560490  1
  Fe  Fe353  1  0.546415  0.653099  0.541636  1
  Fe  Fe354  1  0.046415  0.653099  0.541636  1
  Fe  Fe355  1  0.981740  0.024314  0.520982  1
  Fe  Fe356  1  0.481740  0.024314  0.520982  1
  Fe  Fe357  1  0.340178  0.120452  0.558928  1
  Fe  Fe358  1  0.840178  0.120452  0.558928  1
  Fe  Fe359  1  0.776629  0.492865  0.537999  1
  Fe  Fe360  1  0.276629  0.492865  0.537999  1
  Fe  Fe361  1  0.664608  0.450809  0.560463  1
  Fe  Fe362  1  0.164608  0.450809  0.560463  1
  Fe  Fe363  1  0.100912  0.822982  0.539824  1
  Fe  Fe364  1  0.600912  0.822982  0.539824  1
  Fe  Fe365  1  0.216257  0.992831  0.537998  1
  Fe  Fe366  1  0.716257  0.992831  0.537998  1
  Fe  Fe367  1  0.780290  0.620413  0.558926  1
  Fe  Fe368  1  0.280290  0.620413  0.558926  1
  Fe  Fe369  1  0.644525  0.565057  0.551544  1
  Fe  Fe370  1  0.144525  0.565057  0.551544  1
  Fe  Fe371  1  0.080043  0.936578  0.530567  1
  Fe  Fe372  1  0.580043  0.936578  0.530567  1
  Fe  Fe373  1  0.188930  0.101179  0.531322  1
  Fe  Fe374  1  0.688930  0.101179  0.531322  1
  Fe  Fe375  1  0.753083  0.729054  0.552246  1
  Fe  Fe376  1  0.253083  0.729054  0.552246  1
  Fe  Fe377  1  0.421904  0.397154  0.551925  1
  Fe  Fe378  1  0.921904  0.397154  0.551925  1
  Fe  Fe379  1  0.857560  0.768023  0.530841  1
  Fe  Fe380  1  0.357560  0.768023  0.530841  1
  Fe  Fe381  1  0.476067  0.229099  0.552252  1
  Fe  Fe382  1  0.976067  0.229099  0.552252  1
  Fe  Fe383  1  0.912341  0.601217  0.531327  1
  Fe  Fe384  1  0.412341  0.601217  0.531327  1
  Fe  Fe385  1  0.300355  0.267180  0.530735  1
  Fe  Fe386  1  0.800355  0.267180  0.530735  1
  Fe  Fe387  1  0.864358  0.895191  0.551540  1
  Fe  Fe388  1  0.364358  0.895191  0.551540  1
  Fe  Fe389  1  0.530819  0.395135  0.551569  1
  Fe  Fe390  1  0.030819  0.395135  0.551569  1
  Fe  Fe391  1  0.966813  0.767125  0.530766  1
  Fe  Fe392  1  0.466813  0.767125  0.530766  1
  Fe  Fe393  1  0.539114  0.525284  0.572779  1
  Fe  Fe394  1  0.039114  0.525284  0.572779  1
  Fe  Fe395  1  0.103310  0.153698  0.593673  1
  Fe  Fe396  1  0.603310  0.153698  0.593673  1
  Fe  Fe397  1  0.484640  0.692012  0.572154  1
  Fe  Fe398  1  0.984640  0.692012  0.572154  1
  Fe  Fe399  1  0.047966  0.319225  0.592704  1
  Fe  Fe400  1  0.547966  0.319225  0.592704  1
  Fe  Fe401  1  0.670534  0.781309  0.562127  1
  Fe  Fe402  1  0.170534  0.781309  0.562127  1
  Fe  Fe403  1  0.235050  0.409475  0.583292  1
  Fe  Fe404  1  0.735050  0.409475  0.583292  1
  Fe  Fe405  1  0.349231  0.578774  0.581665  1
  Fe  Fe406  1  0.849231  0.578774  0.581665  1
  Fe  Fe407  1  0.913313  0.207262  0.602222  1
  Fe  Fe408  1  0.413313  0.207262  0.602222  1
  Fe  Fe409  1  0.674455  0.909412  0.583287  1
  Fe  Fe410  1  0.174455  0.909412  0.583287  1
  Fe  Fe411  1  0.110817  0.281253  0.562121  1
  Fe  Fe412  1  0.610817  0.281253  0.562121  1
  Fe  Fe413  1  0.469078  0.378019  0.600044  1
  Fe  Fe414  1  0.969078  0.378019  0.600044  1
  Fe  Fe415  1  0.905321  0.749367  0.579671  1
  Fe  Fe416  1  0.405321  0.749367  0.579671  1
  Fe  Fe417  1  0.793980  0.707202  0.602197  1
  Fe  Fe418  1  0.293980  0.707202  0.602197  1
  Fe  Fe419  1  0.229560  0.078715  0.581638  1
  Fe  Fe420  1  0.729560  0.078715  0.581638  1
  Fe  Fe421  1  0.344065  0.249336  0.579672  1
  Fe  Fe422  1  0.844065  0.249336  0.579672  1
  Fe  Fe423  1  0.908952  0.877979  0.600046  1
  Fe  Fe424  1  0.408952  0.877979  0.600046  1
  Fe  Fe425  1  0.771243  0.819112  0.592715  1
  Fe  Fe426  1  0.271243  0.819112  0.592715  1
  Fe  Fe427  1  0.207330  0.191870  0.572163  1
  Fe  Fe428  1  0.707330  0.191870  0.572163  1
  Fe  Fe429  1  0.316903  0.357523  0.573021  1
  Fe  Fe430  1  0.816903  0.357523  0.573021  1
  Fe  Fe431  1  0.881115  0.985638  0.593947  1
  Fe  Fe432  1  0.381115  0.985638  0.593947  1
  Fe  Fe433  1  0.550357  0.653631  0.593661  1
  Fe  Fe434  1  0.050357  0.653631  0.593661  1
  Fe  Fe435  1  0.986152  0.025232  0.572772  1
  Fe  Fe436  1  0.486152  0.025232  0.572772  1
  Fe  Fe437  1  0.604618  0.485687  0.593954  1
  Fe  Fe438  1  0.104618  0.485687  0.593954  1
  Fe  Fe439  1  0.040713  0.857567  0.573029  1
  Fe  Fe440  1  0.540713  0.857567  0.573029  1
  Fe  Fe441  1  0.428865  0.524340  0.572368  1
  Fe  Fe442  1  0.928865  0.524340  0.572368  1
  Fe  Fe443  1  0.992334  0.151988  0.593231  1
  Fe  Fe444  1  0.492334  0.151988  0.593231  1
  Fe  Fe445  1  0.659633  0.651929  0.593261  1
  Fe  Fe446  1  0.159633  0.651929  0.593261  1
  Fe  Fe447  1  0.095448  0.024268  0.572402  1
  Fe  Fe448  1  0.595448  0.024268  0.572402  1
  Fe  Fe449  1  0.666749  0.780547  0.614213  1
  Fe  Fe450  1  0.166749  0.780547  0.614213  1
  Fe  Fe451  1  0.230737  0.408926  0.634818  1
  Fe  Fe452  1  0.730737  0.408926  0.634818  1
  Fe  Fe453  1  0.613377  0.948767  0.613805  1
  Fe  Fe454  1  0.113377  0.948767  0.613805  1
  Fe  Fe455  1  0.178121  0.580992  0.635041  1
  Fe  Fe456  1  0.678121  0.580992  0.635041  1
  Fe  Fe457  1  0.798981  0.035925  0.604864  1
  Fe  Fe458  1  0.298981  0.035925  0.604864  1
  Fe  Fe459  1  0.363351  0.666093  0.624989  1
  Fe  Fe460  1  0.863351  0.666093  0.624989  1
  Fe  Fe461  1  0.478483  0.835016  0.622985  1
  Fe  Fe462  1  0.978483  0.835016  0.622985  1
  Fe  Fe463  1  0.044742  0.464306  0.643856  1
  Fe  Fe464  1  0.544742  0.464306  0.643856  1
  Fe  Fe465  1  0.802776  0.166037  0.624979  1
  Fe  Fe466  1  0.302776  0.166037  0.624979  1
  Fe  Fe467  1  0.236970  0.535860  0.604864  1
  Fe  Fe468  1  0.736970  0.535860  0.604864  1
  Fe  Fe469  1  0.596805  0.633653  0.642176  1
  Fe  Fe470  1  0.096805  0.633653  0.642176  1
  Fe  Fe471  1  0.032366  0.005042  0.621395  1
  Fe  Fe472  1  0.532366  0.005042  0.621395  1
  Fe  Fe473  1  0.919590  0.964245  0.643826  1
  Fe  Fe474  1  0.419590  0.964245  0.643826  1
  Fe  Fe475  1  0.356553  0.334971  0.622947  1
  Fe  Fe476  1  0.856553  0.334971  0.622947  1
  Fe  Fe477  1  0.472686  0.504995  0.621393  1
  Fe  Fe478  1  0.972686  0.504995  0.621393  1
  Fe  Fe479  1  0.036865  0.133614  0.642173  1
  Fe  Fe480  1  0.536865  0.133614  0.642173  1
  Fe  Fe481  1  0.902809  0.080832  0.635044  1
  Fe  Fe482  1  0.402809  0.080832  0.635044  1
  Fe  Fe483  1  0.335343  0.448623  0.613813  1
  Fe  Fe484  1  0.835343  0.448623  0.613813  1
  Fe  Fe485  1  0.444709  0.612504  0.614524  1
  Fe  Fe486  1  0.944709  0.612504  0.614524  1
  Fe  Fe487  1  0.010047  0.242470  0.635284  1
  Fe  Fe488  1  0.510047  0.242470  0.635284  1
  Fe  Fe489  1  0.678146  0.908855  0.634803  1
  Fe  Fe490  1  0.178146  0.908855  0.634803  1
  Fe  Fe491  1  0.113778  0.280493  0.614208  1
  Fe  Fe492  1  0.613778  0.280493  0.614208  1
  Fe  Fe493  1  0.732500  0.742498  0.635289  1
  Fe  Fe494  1  0.232500  0.742498  0.635289  1
  Fe  Fe495  1  0.167879  0.112544  0.614530  1
  Fe  Fe496  1  0.667879  0.112544  0.614530  1
  Fe  Fe497  1  0.556738  0.779675  0.614166  1
  Fe  Fe498  1  0.056738  0.779675  0.614166  1
  Fe  Fe499  1  0.120334  0.407773  0.634563  1
  Fe  Fe500  1  0.620334  0.407773  0.634563  1
  Fe  Fe501  1  0.787426  0.907721  0.634591  1
  Fe  Fe502  1  0.287426  0.907721  0.634591  1
  Fe  Fe503  1  0.222923  0.279629  0.614198  1
  Fe  Fe504  1  0.722923  0.279629  0.614198  1
  Fe  Fe505  1  0.797009  0.040649  0.656817  1
  Fe  Fe506  1  0.297009  0.040649  0.656817  1
  Fe  Fe507  1  0.360517  0.665850  0.676868  1
  Fe  Fe508  1  0.860517  0.665850  0.676868  1
  Fe  Fe509  1  0.739905  0.203270  0.655976  1
  Fe  Fe510  1  0.239905  0.203270  0.655976  1
  Fe  Fe511  1  0.303627  0.831646  0.675231  1
  Fe  Fe512  1  0.803627  0.831646  0.675231  1
  Fe  Fe513  1  0.926613  0.295792  0.644852  1
  Fe  Fe514  1  0.426613  0.295792  0.644852  1
  Fe  Fe515  1  0.489645  0.921488  0.665550  1
  Fe  Fe516  1  0.989645  0.921488  0.665550  1
  Fe  Fe517  1  0.607215  0.091015  0.664890  1
  Fe  Fe518  1  0.107215  0.091015  0.664890  1
  Fe  Fe519  1  0.168629  0.721584  0.685926  1
  Fe  Fe520  1  0.668629  0.721584  0.685926  1
  Fe  Fe521  1  0.931884  0.421444  0.665541  1
  Fe  Fe522  1  0.431884  0.421444  0.665541  1
  Fe  Fe523  1  0.369221  0.795727  0.644846  1
  Fe  Fe524  1  0.869221  0.795727  0.644846  1
  Fe  Fe525  1  0.727895  0.891851  0.683514  1
  Fe  Fe526  1  0.227895  0.891851  0.683514  1
  Fe  Fe527  1  0.160679  0.260944  0.663008  1
  Fe  Fe528  1  0.660679  0.260944  0.663008  1
  Fe  Fe529  1  0.052930  0.221500  0.685893  1
  Fe  Fe530  1  0.552930  0.221500  0.685893  1
  Fe  Fe531  1  0.483825  0.590950  0.664857  1
  Fe  Fe532  1  0.983825  0.590950  0.664857  1
  Fe  Fe533  1  0.600279  0.760900  0.662999  1
  Fe  Fe534  1  0.100279  0.760900  0.662999  1
  Fe  Fe535  1  0.163964  0.391781  0.683521  1
  Fe  Fe536  1  0.663964  0.391781  0.683521  1
  Fe  Fe537  1  0.028011  0.331566  0.675233  1
  Fe  Fe538  1  0.528011  0.331566  0.675233  1
  Fe  Fe539  1  0.463314  0.703111  0.655982  1
  Fe  Fe540  1  0.963314  0.703111  0.655982  1
  Fe  Fe541  1  0.574312  0.870084  0.656409  1
  Fe  Fe542  1  0.074312  0.870084  0.656409  1
  Fe  Fe543  1  0.138116  0.500804  0.677222  1
  Fe  Fe544  1  0.638116  0.500804  0.677222  1
  Fe  Fe545  1  0.805312  0.165821  0.676857  1
  Fe  Fe546  1  0.305312  0.165821  0.676857  1
  Fe  Fe547  1  0.243604  0.540587  0.656809  1
  Fe  Fe548  1  0.743604  0.540587  0.656809  1
  Fe  Fe549  1  0.862752  0.000831  0.677226  1
  Fe  Fe550  1  0.362752  0.000831  0.677226  1
  Fe  Fe551  1  0.295856  0.370129  0.656414  1
  Fe  Fe552  1  0.795856  0.370129  0.656414  1
  Fe  Fe553  1  0.684151  0.035408  0.655895  1
  Fe  Fe554  1  0.184151  0.035408  0.655895  1
  Fe  Fe555  1  0.250426  0.668812  0.676503  1
  Fe  Fe556  1  0.750426  0.668812  0.676503  1
  Fe  Fe557  1  0.918396  0.168793  0.676524  1
  Fe  Fe558  1  0.418396  0.168793  0.676524  1
  Fe  Fe559  1  0.351233  0.535349  0.655924  1
  Fe  Fe560  1  0.851233  0.535349  0.655924  1
  Fe  Fe561  1  0.923481  0.290665  0.696120  1
  Fe  Fe562  1  0.423481  0.290665  0.696120  1
  Fe  Fe563  1  0.484434  0.917353  0.718097  1
  Fe  Fe564  1  0.984434  0.917353  0.718097  1
  Fe  Fe565  1  0.866653  0.457863  0.696888  1
  Fe  Fe566  1  0.366653  0.457863  0.696888  1
  Fe  Fe567  1  0.434206  0.082480  0.718589  1
  Fe  Fe568  1  0.934206  0.082480  0.718589  1
  Fe  Fe569  1  0.054565  0.548181  0.687086  1
  Fe  Fe570  1  0.554565  0.548181  0.687086  1
  Fe  Fe571  1  0.620919  0.172740  0.710178  1
  Fe  Fe572  1  0.120919  0.172740  0.710178  1
  Fe  Fe573  1  0.732744  0.347890  0.706205  1
  Fe  Fe574  1  0.232744  0.347890  0.706205  1
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  C  C862  1  0.587814  0.366133  0.708681  1
  C  C863  1  0.525675  0.737377  0.688606  1
  C  C864  1  0.025675  0.737377  0.688606  1
  C  C865  1  0.829778  0.062537  0.695645  1
  C  C866  1  0.329778  0.062537  0.695645  1
  C  C867  1  0.390564  0.690050  0.716048  1
  C  C868  1  0.890564  0.690050  0.716048  1
  C  C869  1  0.973253  0.539156  0.701941  1
  C  C870  1  0.473253  0.539156  0.701941  1
  C  C871  1  0.541164  0.170010  0.723118  1
  C  C872  1  0.041164  0.170010  0.723118  1
  C  C873  1  0.711762  0.237420  0.688622  1
  C  C874  1  0.211762  0.237420  0.688622  1
  C  C875  1  0.278380  0.866189  0.708689  1
  C  C876  1  0.778380  0.866189  0.708689  1
  C  C877  1  0.128887  0.670059  0.723144  1
  C  C878  1  0.628887  0.670059  0.723144  1
  C  C879  1  0.565960  0.039194  0.701965  1
  C  C880  1  0.065960  0.039194  0.701965  1
