# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.60368406
_cell_length_b   10.62642593
_cell_length_c   46.45425408
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.57897623
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe240 C120'
_cell_volume   7111.7680614
_cell_formula_units_Z   120
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  0.484207  0.222772  0.285951  1
  Fe  Fe2  1  0.786475  0.155292  0.316294  1
  Fe  Fe3  1  0.135008  0.189107  0.301150  1
  Fe  Fe4  1  0.484207  0.722772  0.285951  1
  Fe  Fe5  1  0.786475  0.655292  0.316294  1
  Fe  Fe6  1  0.135008  0.689107  0.301150  1
  Fe  Fe7  1  0.595280  0.022977  0.274868  1
  Fe  Fe8  1  0.898933  0.953998  0.304605  1
  Fe  Fe9  1  0.246612  0.988797  0.289924  1
  Fe  Fe10  1  0.595280  0.522977  0.274868  1
  Fe  Fe11  1  0.898933  0.453998  0.304605  1
  Fe  Fe12  1  0.246612  0.488797  0.289924  1
  Fe  Fe13  1  0.658276  0.258548  0.281004  1
  Fe  Fe14  1  0.959638  0.190224  0.310947  1
  Fe  Fe15  1  0.309287  0.224616  0.295637  1
  Fe  Fe16  1  0.658276  0.758548  0.281004  1
  Fe  Fe17  1  0.959638  0.690224  0.310947  1
  Fe  Fe18  1  0.309287  0.724616  0.295637  1
  Fe  Fe19  1  0.427104  0.990481  0.280255  1
  Fe  Fe20  1  0.726289  0.917867  0.310291  1
  Fe  Fe21  1  0.077449  0.955335  0.295624  1
  Fe  Fe22  1  0.427104  0.490481  0.280255  1
  Fe  Fe23  1  0.726289  0.417867  0.310291  1
  Fe  Fe24  1  0.077449  0.455335  0.295624  1
  Fe  Fe25  1  0.437817  0.120349  0.331527  1
  Fe  Fe26  1  0.739233  0.052727  0.361705  1
  Fe  Fe27  1  0.088829  0.086805  0.346536  1
  Fe  Fe28  1  0.437817  0.620349  0.331527  1
  Fe  Fe29  1  0.739233  0.552727  0.361705  1
  Fe  Fe30  1  0.088829  0.586805  0.346536  1
  Fe  Fe31  1  0.549938  0.919167  0.319618  1
  Fe  Fe32  1  0.851133  0.851871  0.350041  1
  Fe  Fe33  1  0.200536  0.886045  0.334798  1
  Fe  Fe34  1  0.549938  0.419167  0.319618  1
  Fe  Fe35  1  0.851133  0.351871  0.350041  1
  Fe  Fe36  1  0.200536  0.386045  0.334798  1
  Fe  Fe37  1  0.609969  0.155736  0.325641  1
  Fe  Fe38  1  0.911673  0.088966  0.356536  1
  Fe  Fe39  1  0.261120  0.122470  0.341247  1
  Fe  Fe40  1  0.609969  0.655736  0.325641  1
  Fe  Fe41  1  0.911673  0.588966  0.356536  1
  Fe  Fe42  1  0.261120  0.622470  0.341247  1
  Fe  Fe43  1  0.377183  0.884516  0.325270  1
  Fe  Fe44  1  0.678253  0.816132  0.355533  1
  Fe  Fe45  1  0.027814  0.849946  0.340449  1
  Fe  Fe46  1  0.377183  0.384516  0.325270  1
  Fe  Fe47  1  0.678253  0.316132  0.355533  1
  Fe  Fe48  1  0.027814  0.349946  0.340449  1
  Fe  Fe49  1  0.390128  0.018939  0.376880  1
  Fe  Fe50  1  0.691951  0.950833  0.407177  1
  Fe  Fe51  1  0.040903  0.984823  0.392032  1
  Fe  Fe52  1  0.390128  0.518939  0.376880  1
  Fe  Fe53  1  0.691951  0.450833  0.407177  1
  Fe  Fe54  1  0.040903  0.484823  0.392032  1
  Fe  Fe55  1  0.501792  0.818337  0.365297  1
  Fe  Fe56  1  0.803392  0.750485  0.395683  1
  Fe  Fe57  1  0.152526  0.784322  0.380516  1
  Fe  Fe58  1  0.501792  0.318337  0.365297  1
  Fe  Fe59  1  0.803392  0.250485  0.395683  1
  Fe  Fe60  1  0.152526  0.284322  0.380516  1
  Fe  Fe61  1  0.562782  0.054726  0.371507  1
  Fe  Fe62  1  0.864360  0.986660  0.401705  1
  Fe  Fe63  1  0.213598  0.020658  0.386547  1
  Fe  Fe64  1  0.562782  0.554726  0.371507  1
  Fe  Fe65  1  0.864360  0.486660  0.401705  1
  Fe  Fe66  1  0.213598  0.520658  0.386547  1
  Fe  Fe67  1  0.329487  0.782237  0.370776  1
  Fe  Fe68  1  0.631228  0.714608  0.401098  1
  Fe  Fe69  1  0.980416  0.748485  0.385892  1
  Fe  Fe70  1  0.329487  0.282237  0.370776  1
  Fe  Fe71  1  0.631228  0.214608  0.401098  1
  Fe  Fe72  1  0.980416  0.248485  0.385892  1
  Fe  Fe73  1  0.342763  0.917007  0.422320  1
  Fe  Fe74  1  0.644636  0.849116  0.452636  1
  Fe  Fe75  1  0.993706  0.883059  0.437471  1
  Fe  Fe76  1  0.342763  0.417007  0.422320  1
  Fe  Fe77  1  0.644636  0.349116  0.452636  1
  Fe  Fe78  1  0.993706  0.383059  0.437471  1
  Fe  Fe79  1  0.454252  0.716642  0.410860  1
  Fe  Fe80  1  0.756221  0.648588  0.441060  1
  Fe  Fe81  1  0.105333  0.682508  0.425917  1
  Fe  Fe82  1  0.454252  0.216642  0.410860  1
  Fe  Fe83  1  0.756221  0.148588  0.441060  1
  Fe  Fe84  1  0.105333  0.182508  0.425917  1
  Fe  Fe85  1  0.515253  0.952831  0.416895  1
  Fe  Fe86  1  0.816985  0.884927  0.447174  1
  Fe  Fe87  1  0.166098  0.918880  0.432048  1
  Fe  Fe88  1  0.515253  0.452831  0.416895  1
  Fe  Fe89  1  0.816985  0.384927  0.447174  1
  Fe  Fe90  1  0.166098  0.418880  0.432048  1
  Fe  Fe91  1  0.282061  0.680653  0.416206  1
  Fe  Fe92  1  0.583811  0.612781  0.446520  1
  Fe  Fe93  1  0.932881  0.646632  0.431345  1
  Fe  Fe94  1  0.282061  0.180653  0.416206  1
  Fe  Fe95  1  0.583811  0.112781  0.446520  1
  Fe  Fe96  1  0.932881  0.146632  0.431345  1
  Fe  Fe97  1  0.295459  0.815196  0.467775  1
  Fe  Fe98  1  0.597196  0.747381  0.498091  1
  Fe  Fe99  1  0.946299  0.781293  0.482939  1
  Fe  Fe100  1  0.295459  0.315196  0.467775  1
  Fe  Fe101  1  0.597196  0.247381  0.498091  1
  Fe  Fe102  1  0.946299  0.281293  0.482939  1
  Fe  Fe103  1  0.407049  0.614694  0.456241  1
  Fe  Fe104  1  0.708790  0.546854  0.486524  1
  Fe  Fe105  1  0.057909  0.580755  0.471378  1
  Fe  Fe106  1  0.407049  0.114694  0.456241  1
  Fe  Fe107  1  0.708790  0.046854  0.486524  1
  Fe  Fe108  1  0.057909  0.080755  0.471378  1
  Fe  Fe109  1  0.467854  0.851103  0.462385  1
  Fe  Fe110  1  0.769610  0.783217  0.492651  1
  Fe  Fe111  1  0.118706  0.817134  0.477500  1
  Fe  Fe112  1  0.467854  0.351103  0.462385  1
  Fe  Fe113  1  0.769610  0.283217  0.492651  1
  Fe  Fe114  1  0.118706  0.317134  0.477500  1
  Fe  Fe115  1  0.234618  0.578799  0.461658  1
  Fe  Fe116  1  0.536393  0.510964  0.491960  1
  Fe  Fe117  1  0.885492  0.544883  0.476807  1
  Fe  Fe118  1  0.234618  0.078799  0.461658  1
  Fe  Fe119  1  0.536393  0.010964  0.491960  1
  Fe  Fe120  1  0.885492  0.044883  0.476807  1
  Fe  Fe121  1  0.248034  0.713423  0.513241  1
  Fe  Fe122  1  0.549775  0.645583  0.543524  1
  Fe  Fe123  1  0.898915  0.679522  0.528387  1
  Fe  Fe124  1  0.248034  0.213423  0.513241  1
  Fe  Fe125  1  0.549775  0.145583  0.543524  1
  Fe  Fe126  1  0.898915  0.179522  0.528387  1
  Fe  Fe127  1  0.359628  0.512895  0.501674  1
  Fe  Fe128  1  0.661364  0.445080  0.531990  1
  Fe  Fe129  1  0.010525  0.478983  0.516826  1
  Fe  Fe130  1  0.359628  0.012895  0.501674  1
  Fe  Fe131  1  0.661364  0.945080  0.531990  1
  Fe  Fe132  1  0.010525  0.978983  0.516826  1
  Fe  Fe133  1  0.420431  0.749312  0.507805  1
  Fe  Fe134  1  0.722205  0.681477  0.538107  1
  Fe  Fe135  1  0.071331  0.715393  0.522958  1
  Fe  Fe136  1  0.420431  0.249312  0.507805  1
  Fe  Fe137  1  0.722205  0.181477  0.538107  1
  Fe  Fe138  1  0.071331  0.215393  0.522958  1
  Fe  Fe139  1  0.187214  0.477059  0.507114  1
  Fe  Fe140  1  0.488969  0.409173  0.537381  1
  Fe  Fe141  1  0.838118  0.443142  0.522265  1
  Fe  Fe142  1  0.187214  0.977059  0.507114  1
  Fe  Fe143  1  0.488969  0.909173  0.537381  1
  Fe  Fe144  1  0.838118  0.943142  0.522265  1
  Fe  Fe145  1  0.200603  0.611689  0.558705  1
  Fe  Fe146  1  0.502572  0.543634  0.588905  1
  Fe  Fe147  1  0.851491  0.577768  0.573848  1
  Fe  Fe148  1  0.200603  0.111689  0.558705  1
  Fe  Fe149  1  0.502572  0.043634  0.588905  1
  Fe  Fe150  1  0.851491  0.077768  0.573848  1
  Fe  Fe151  1  0.312188  0.411161  0.547129  1
  Fe  Fe152  1  0.614061  0.343269  0.577446  1
  Fe  Fe153  1  0.963118  0.377217  0.562294  1
  Fe  Fe154  1  0.312188  0.911161  0.547129  1
  Fe  Fe155  1  0.614061  0.843269  0.577446  1
  Fe  Fe156  1  0.963118  0.877217  0.562294  1
  Fe  Fe157  1  0.373013  0.647495  0.553245  1
  Fe  Fe158  1  0.674763  0.579623  0.583559  1
  Fe  Fe159  1  0.023943  0.613644  0.568421  1
  Fe  Fe160  1  0.373013  0.147495  0.553245  1
  Fe  Fe161  1  0.674763  0.079623  0.583559  1
  Fe  Fe162  1  0.023943  0.113644  0.568421  1
  Fe  Fe163  1  0.139838  0.375349  0.552591  1
  Fe  Fe164  1  0.441571  0.307445  0.582870  1
  Fe  Fe165  1  0.790726  0.341397  0.567717  1
  Fe  Fe166  1  0.139838  0.875349  0.552591  1
  Fe  Fe167  1  0.441571  0.807445  0.582870  1
  Fe  Fe168  1  0.790726  0.841397  0.567717  1
  Fe  Fe169  1  0.153432  0.509791  0.604082  1
  Fe  Fe170  1  0.455032  0.441940  0.634468  1
  Fe  Fe171  1  0.804298  0.475955  0.619249  1
  Fe  Fe172  1  0.153432  0.009791  0.604082  1
  Fe  Fe173  1  0.455032  0.941940  0.634468  1
  Fe  Fe174  1  0.804298  0.975955  0.619249  1
  Fe  Fe175  1  0.264873  0.309444  0.592588  1
  Fe  Fe176  1  0.566695  0.241337  0.622885  1
  Fe  Fe177  1  0.915921  0.275453  0.607733  1
  Fe  Fe178  1  0.264873  0.809444  0.592588  1
  Fe  Fe179  1  0.566695  0.741337  0.622885  1
  Fe  Fe180  1  0.915921  0.775453  0.607733  1
  Fe  Fe181  1  0.325595  0.545668  0.598667  1
  Fe  Fe182  1  0.627337  0.478039  0.628989  1
  Fe  Fe183  1  0.976408  0.511792  0.613873  1
  Fe  Fe184  1  0.325595  0.045668  0.598667  1
  Fe  Fe185  1  0.627337  0.978039  0.628989  1
  Fe  Fe186  1  0.976408  0.011792  0.613873  1
  Fe  Fe187  1  0.092464  0.273616  0.598061  1
  Fe  Fe188  1  0.394041  0.205550  0.628258  1
  Fe  Fe189  1  0.743226  0.239618  0.613219  1
  Fe  Fe190  1  0.092464  0.773616  0.598061  1
  Fe  Fe191  1  0.394041  0.705550  0.628258  1
  Fe  Fe192  1  0.743226  0.739618  0.613219  1
  Fe  Fe193  1  0.105691  0.408406  0.649725  1
  Fe  Fe194  1  0.406886  0.341109  0.680148  1
  Fe  Fe195  1  0.756288  0.374231  0.664967  1
  Fe  Fe196  1  0.105691  0.908406  0.649725  1
  Fe  Fe197  1  0.406886  0.841109  0.680148  1
  Fe  Fe198  1  0.756288  0.874231  0.664967  1
  Fe  Fe199  1  0.217590  0.207549  0.638061  1
  Fe  Fe200  1  0.519007  0.139927  0.668238  1
  Fe  Fe201  1  0.867995  0.173471  0.653229  1
  Fe  Fe202  1  0.217590  0.707549  0.638061  1
  Fe  Fe203  1  0.519007  0.639927  0.668238  1
  Fe  Fe204  1  0.867995  0.673471  0.653229  1
  Fe  Fe205  1  0.278571  0.444144  0.644233  1
  Fe  Fe206  1  0.579641  0.375761  0.674495  1
  Fe  Fe207  1  0.929009  0.410330  0.659316  1
  Fe  Fe208  1  0.278571  0.944144  0.644233  1
  Fe  Fe209  1  0.579641  0.875761  0.674495  1
  Fe  Fe210  1  0.929009  0.910330  0.659316  1
  Fe  Fe211  1  0.045151  0.171310  0.643230  1
  Fe  Fe212  1  0.346855  0.104540  0.674124  1
  Fe  Fe213  1  0.695704  0.137806  0.658518  1
  Fe  Fe214  1  0.045151  0.671310  0.643230  1
  Fe  Fe215  1  0.346855  0.604540  0.674124  1
  Fe  Fe216  1  0.695704  0.637806  0.658518  1
  Fe  Fe217  1  0.057891  0.306278  0.695161  1
  Fe  Fe218  1  0.361544  0.237300  0.724897  1
  Fe  Fe219  1  0.710212  0.271480  0.709841  1
  Fe  Fe220  1  0.057891  0.806278  0.695161  1
  Fe  Fe221  1  0.361544  0.737300  0.724897  1
  Fe  Fe222  1  0.710212  0.771480  0.709841  1
  Fe  Fe223  1  0.170348  0.104984  0.683471  1
  Fe  Fe224  1  0.472617  0.037504  0.713814  1
  Fe  Fe225  1  0.821815  0.071170  0.698615  1
  Fe  Fe226  1  0.170348  0.604984  0.683471  1
  Fe  Fe227  1  0.472617  0.537504  0.713814  1
  Fe  Fe228  1  0.821815  0.571170  0.698615  1
  Fe  Fe229  1  0.230535  0.342409  0.689474  1
  Fe  Fe230  1  0.529719  0.269796  0.719510  1
  Fe  Fe231  1  0.879375  0.304942  0.704141  1
  Fe  Fe232  1  0.230535  0.842409  0.689474  1
  Fe  Fe233  1  0.529719  0.769796  0.719510  1
  Fe  Fe234  1  0.879375  0.804942  0.704141  1
  Fe  Fe235  1  0.997185  0.070052  0.688818  1
  Fe  Fe236  1  0.298547  0.001729  0.718761  1
  Fe  Fe237  1  0.647537  0.035660  0.704128  1
  Fe  Fe238  1  0.997185  0.570052  0.688818  1
  Fe  Fe239  1  0.298547  0.501729  0.718761  1
  Fe  Fe240  1  0.647537  0.535660  0.704128  1
  C  C241  1  0.342601  0.054619  0.310528  1
  C  C242  1  0.692443  0.087439  0.295176  1
  C  C243  1  0.040258  0.123256  0.279929  1
  C  C244  1  0.342601  0.554619  0.310528  1
  C  C245  1  0.692443  0.587439  0.295176  1
  C  C246  1  0.040258  0.623256  0.279929  1
  C  C247  1  0.541225  0.871314  0.279934  1
  C  C248  1  0.843071  0.804247  0.310323  1
  C  C249  1  0.192225  0.837490  0.295149  1
  C  C250  1  0.541225  0.371314  0.279934  1
  C  C251  1  0.843071  0.304247  0.310323  1
  C  C252  1  0.192225  0.337490  0.295149  1
  C  C253  1  0.295298  0.952190  0.355923  1
  C  C254  1  0.644140  0.986311  0.340803  1
  C  C255  1  0.993223  0.020358  0.325903  1
  C  C256  1  0.295298  0.452190  0.355923  1
  C  C257  1  0.644140  0.486311  0.340803  1
  C  C258  1  0.993223  0.520358  0.325903  1
  C  C259  1  0.493550  0.770089  0.325634  1
  C  C260  1  0.794974  0.702569  0.356006  1
  C  C261  1  0.144633  0.736570  0.340810  1
  C  C262  1  0.493550  0.270089  0.325634  1
  C  C263  1  0.794974  0.202569  0.356006  1
  C  C264  1  0.144633  0.236570  0.340810  1
  C  C265  1  0.247713  0.850656  0.401385  1
  C  C266  1  0.596881  0.884540  0.386239  1
  C  C267  1  0.945977  0.918417  0.371041  1
  C  C268  1  0.247713  0.350656  0.401385  1
  C  C269  1  0.596881  0.384540  0.386239  1
  C  C270  1  0.945977  0.418417  0.371041  1
  C  C271  1  0.446161  0.668541  0.371184  1
  C  C272  1  0.747757  0.600557  0.401389  1
  C  C273  1  0.096923  0.634381  0.386251  1
  C  C274  1  0.446161  0.168541  0.371184  1
  C  C275  1  0.747757  0.100557  0.401389  1
  C  C276  1  0.096923  0.134381  0.386251  1
  C  C277  1  0.200378  0.748847  0.446856  1
  C  C278  1  0.549494  0.782843  0.431731  1
  C  C279  1  0.898684  0.816671  0.416532  1
  C  C280  1  0.200378  0.248847  0.446856  1
  C  C281  1  0.549494  0.282843  0.431731  1
  C  C282  1  0.898684  0.316671  0.416532  1
  C  C283  1  0.398637  0.566697  0.416567  1
  C  C284  1  0.700406  0.498870  0.446848  1
  C  C285  1  0.049508  0.532798  0.431701  1
  C  C286  1  0.398637  0.066697  0.416567  1
  C  C287  1  0.700406  0.998870  0.446848  1
  C  C288  1  0.049508  0.032798  0.431701  1
  C  C289  1  0.152972  0.647099  0.492307  1
  C  C290  1  0.502129  0.681024  0.477167  1
  C  C291  1  0.851262  0.714927  0.462002  1
  C  C292  1  0.152972  0.147099  0.492307  1
  C  C293  1  0.502129  0.181024  0.477167  1
  C  C294  1  0.851262  0.214927  0.462002  1
  C  C295  1  0.351237  0.464950  0.461996  1
  C  C296  1  0.653009  0.397107  0.492312  1
  C  C297  1  0.002103  0.431018  0.477149  1
  C  C298  1  0.351237  0.964950  0.461996  1
  C  C299  1  0.653009  0.897107  0.492312  1
  C  C300  1  0.002103  0.931018  0.477149  1
  C  C301  1  0.105561  0.545349  0.537763  1
  C  C302  1  0.454695  0.579252  0.522599  1
  C  C303  1  0.803851  0.613178  0.507458  1
  C  C304  1  0.105561  0.045349  0.537763  1
  C  C305  1  0.454695  0.079252  0.522599  1
  C  C306  1  0.803851  0.113178  0.507458  1
  C  C307  1  0.303815  0.363169  0.507453  1
  C  C308  1  0.605587  0.295326  0.537769  1
  C  C309  1  0.954721  0.329259  0.522616  1
  C  C310  1  0.303815  0.863169  0.507453  1
  C  C311  1  0.605587  0.795326  0.537769  1
  C  C312  1  0.954721  0.829259  0.522616  1
  C  C313  1  0.058140  0.443606  0.583233  1
  C  C314  1  0.407330  0.477434  0.568034  1
  C  C315  1  0.756446  0.511429  0.552909  1
  C  C316  1  0.058140  0.943606  0.583233  1
  C  C317  1  0.407330  0.977434  0.568034  1
  C  C318  1  0.756446  0.011429  0.552909  1
  C  C319  1  0.256418  0.261406  0.552917  1
  C  C320  1  0.558187  0.193579  0.583198  1
  C  C321  1  0.907316  0.227479  0.568065  1
  C  C322  1  0.256418  0.761406  0.552917  1
  C  C323  1  0.558187  0.693579  0.583198  1
  C  C324  1  0.907316  0.727479  0.568065  1
  C  C325  1  0.010847  0.341859  0.628724  1
  C  C326  1  0.359943  0.375736  0.613526  1
  C  C327  1  0.709111  0.409620  0.598381  1
  C  C328  1  0.010847  0.841859  0.628724  1
  C  C329  1  0.359943  0.875736  0.613526  1
  C  C330  1  0.709111  0.909620  0.598381  1
  C  C331  1  0.209067  0.159720  0.598376  1
  C  C332  1  0.510663  0.091735  0.628581  1
  C  C333  1  0.859901  0.125895  0.613514  1
  C  C334  1  0.209067  0.659720  0.598376  1
  C  C335  1  0.510663  0.591735  0.628581  1
  C  C336  1  0.859901  0.625895  0.613514  1
  C  C337  1  0.963601  0.239919  0.673862  1
  C  C338  1  0.312684  0.273965  0.658962  1
  C  C339  1  0.661526  0.308086  0.643842  1
  C  C340  1  0.963601  0.739919  0.673862  1
  C  C341  1  0.312684  0.773965  0.658962  1
  C  C342  1  0.661526  0.808086  0.643842  1
  C  C343  1  0.161850  0.057707  0.643759  1
  C  C344  1  0.463274  0.990187  0.674131  1
  C  C345  1  0.812191  0.023706  0.658955  1
  C  C346  1  0.161850  0.557707  0.643759  1
  C  C347  1  0.463274  0.490187  0.674131  1
  C  C348  1  0.812191  0.523706  0.658955  1
  C  C349  1  0.916566  0.137020  0.719837  1
  C  C350  1  0.264381  0.172837  0.704589  1
  C  C351  1  0.614223  0.205658  0.689237  1
  C  C352  1  0.916566  0.637020  0.719837  1
  C  C353  1  0.264381  0.672837  0.704589  1
  C  C354  1  0.614223  0.705658  0.689237  1
  C  C355  1  0.113753  0.956029  0.689442  1
  C  C356  1  0.415599  0.888963  0.719831  1
  C  C357  1  0.764599  0.922786  0.704617  1
  C  C358  1  0.113753  0.456029  0.689442  1
  C  C359  1  0.415599  0.388963  0.719831  1
  C  C360  1  0.764599  0.422786  0.704617  1
