# generated using pymatgen
data_Fe4C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.76329640
_cell_length_b   13.74258919
_cell_length_c   50.01717061
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4C
_chemical_formula_sum   'Fe288 C72'
_cell_volume   9001.45077077
_cell_formula_units_Z   72
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  0.758376  0.092965  0.307125  1
  Fe  Fe2  1  0.091710  0.759631  0.307125  1
  Fe  Fe3  1  0.130489  0.131675  0.288952  1
  Fe  Fe4  1  0.386018  0.053856  0.325487  1
  Fe  Fe5  1  0.719351  0.720523  0.325487  1
  Fe  Fe6  1  0.052684  0.387190  0.325487  1
  Fe  Fe7  1  0.425043  0.426298  0.307125  1
  Fe  Fe8  1  0.463822  0.798341  0.288952  1
  Fe  Fe9  1  0.797156  0.465008  0.288952  1
  Fe  Fe10  1  0.773506  0.283392  0.302548  1
  Fe  Fe11  1  0.106839  0.950058  0.302548  1
  Fe  Fe12  1  0.150667  0.318653  0.283801  1
  Fe  Fe13  1  0.400061  0.243899  0.320566  1
  Fe  Fe14  1  0.733394  0.910565  0.320566  1
  Fe  Fe15  1  0.066728  0.577232  0.320566  1
  Fe  Fe16  1  0.440173  0.616725  0.302548  1
  Fe  Fe17  1  0.484001  0.985320  0.283801  1
  Fe  Fe18  1  0.817334  0.651986  0.283801  1
  Fe  Fe19  1  0.970520  0.304796  0.292729  1
  Fe  Fe20  1  0.303853  0.971463  0.292729  1
  Fe  Fe21  1  0.226409  0.227340  0.328730  1
  Fe  Fe22  1  0.597962  0.265547  0.311216  1
  Fe  Fe23  1  0.931295  0.932214  0.311216  1
  Fe  Fe24  1  0.264629  0.598880  0.311216  1
  Fe  Fe25  1  0.637187  0.638129  0.292729  1
  Fe  Fe26  1  0.559743  0.894006  0.328730  1
  Fe  Fe27  1  0.893076  0.560673  0.328730  1
  Fe  Fe28  1  0.949172  0.107782  0.302613  1
  Fe  Fe29  1  0.282505  0.774449  0.302613  1
  Fe  Fe30  1  0.317659  0.151837  0.283853  1
  Fe  Fe31  1  0.576302  0.067744  0.320623  1
  Fe  Fe32  1  0.909635  0.734411  0.320623  1
  Fe  Fe33  1  0.242968  0.401078  0.320623  1
  Fe  Fe34  1  0.615839  0.441116  0.302613  1
  Fe  Fe35  1  0.650992  0.818504  0.283853  1
  Fe  Fe36  1  0.984326  0.485171  0.283853  1
  Fe  Fe37  1  0.640095  0.974576  0.362571  1
  Fe  Fe38  1  0.973428  0.641243  0.362571  1
  Fe  Fe39  1  0.012749  0.013885  0.344053  1
  Fe  Fe40  1  0.267602  0.935398  0.381222  1
  Fe  Fe41  1  0.600936  0.602064  0.381222  1
  Fe  Fe42  1  0.934269  0.268731  0.381222  1
  Fe  Fe43  1  0.306761  0.307909  0.362571  1
  Fe  Fe44  1  0.346082  0.680552  0.344053  1
  Fe  Fe45  1  0.679416  0.347218  0.344053  1
  Fe  Fe46  1  0.651029  0.166821  0.356869  1
  Fe  Fe47  1  0.984363  0.833488  0.356869  1
  Fe  Fe48  1  0.023505  0.205925  0.338458  1
  Fe  Fe49  1  0.279470  0.127475  0.375869  1
  Fe  Fe50  1  0.612803  0.794141  0.375869  1
  Fe  Fe51  1  0.946137  0.460808  0.375869  1
  Fe  Fe52  1  0.317696  0.500154  0.356869  1
  Fe  Fe53  1  0.356839  0.872592  0.338458  1
  Fe  Fe54  1  0.690172  0.539259  0.338458  1
  Fe  Fe55  1  0.853599  0.187830  0.346801  1
  Fe  Fe56  1  0.186932  0.854497  0.346801  1
  Fe  Fe57  1  0.108426  0.109321  0.384369  1
  Fe  Fe58  1  0.480862  0.148431  0.365243  1
  Fe  Fe59  1  0.814195  0.815097  0.365243  1
  Fe  Fe60  1  0.147528  0.481764  0.365243  1
  Fe  Fe61  1  0.520265  0.521163  0.346801  1
  Fe  Fe62  1  0.441759  0.775988  0.384369  1
  Fe  Fe63  1  0.775093  0.442655  0.384369  1
  Fe  Fe64  1  0.832621  0.985265  0.356924  1
  Fe  Fe65  1  0.165954  0.651932  0.356924  1
  Fe  Fe66  1  0.205051  0.024407  0.338506  1
  Fe  Fe67  1  0.459941  0.947039  0.375918  1
  Fe  Fe68  1  0.793274  0.613705  0.375918  1
  Fe  Fe69  1  0.126607  0.280372  0.375918  1
  Fe  Fe70  1  0.499287  0.318598  0.356924  1
  Fe  Fe71  1  0.538384  0.691074  0.338506  1
  Fe  Fe72  1  0.871717  0.357741  0.338506  1
  Fe  Fe73  1  0.522900  0.857363  0.418205  1
  Fe  Fe74  1  0.856233  0.524029  0.418205  1
  Fe  Fe75  1  0.895292  0.896422  0.399651  1
  Fe  Fe76  1  0.150253  0.818047  0.436721  1
  Fe  Fe77  1  0.483586  0.484714  0.436721  1
  Fe  Fe78  1  0.816919  0.151380  0.436721  1
  Fe  Fe79  1  0.189567  0.190696  0.418205  1
  Fe  Fe80  1  0.228625  0.563089  0.399651  1
  Fe  Fe81  1  0.561959  0.229755  0.399651  1
  Fe  Fe82  1  0.534466  0.049012  0.412629  1
  Fe  Fe83  1  0.867800  0.715679  0.412629  1
  Fe  Fe84  1  0.906923  0.088274  0.394206  1
  Fe  Fe85  1  0.161664  0.009930  0.431206  1
  Fe  Fe86  1  0.494997  0.676597  0.431206  1
  Fe  Fe87  1  0.828331  0.343263  0.431206  1
  Fe  Fe88  1  0.201133  0.382346  0.412629  1
  Fe  Fe89  1  0.240256  0.754941  0.394206  1
  Fe  Fe90  1  0.573590  0.421608  0.394206  1
  Fe  Fe91  1  0.736182  0.070410  0.402764  1
  Fe  Fe92  1  0.069515  0.737076  0.402764  1
  Fe  Fe93  1  0.991026  0.991919  0.439707  1
  Fe  Fe94  1  0.363554  0.031115  0.421258  1
  Fe  Fe95  1  0.696888  0.697782  0.421258  1
  Fe  Fe96  1  0.030221  0.364449  0.421258  1
  Fe  Fe97  1  0.402848  0.403743  0.402764  1
  Fe  Fe98  1  0.324360  0.658586  0.439707  1
  Fe  Fe99  1  0.657693  0.325253  0.439707  1
  Fe  Fe100  1  0.714821  0.868683  0.412681  1
  Fe  Fe101  1  0.048154  0.535349  0.412681  1
  Fe  Fe102  1  0.087419  0.907802  0.394257  1
  Fe  Fe103  1  0.342409  0.829205  0.431256  1
  Fe  Fe104  1  0.675743  0.495872  0.431256  1
  Fe  Fe105  1  0.009076  0.162539  0.431256  1
  Fe  Fe106  1  0.381487  0.202016  0.412681  1
  Fe  Fe107  1  0.420752  0.574468  0.394257  1
  Fe  Fe108  1  0.754086  0.241135  0.394257  1
  Fe  Fe109  1  0.405210  0.739671  0.473750  1
  Fe  Fe110  1  0.738543  0.406337  0.473750  1
  Fe  Fe111  1  0.777765  0.778893  0.455223  1
  Fe  Fe112  1  0.032689  0.700483  0.492319  1
  Fe  Fe113  1  0.366022  0.367149  0.492319  1
  Fe  Fe114  1  0.699356  0.033816  0.492319  1
  Fe  Fe115  1  0.071877  0.073004  0.473750  1
  Fe  Fe116  1  0.111098  0.445560  0.455223  1
  Fe  Fe117  1  0.444432  0.112226  0.455223  1
  Fe  Fe118  1  0.416775  0.931456  0.468285  1
  Fe  Fe119  1  0.750109  0.598122  0.468285  1
  Fe  Fe120  1  0.789241  0.970685  0.449716  1
  Fe  Fe121  1  0.044180  0.892188  0.486785  1
  Fe  Fe122  1  0.377513  0.558854  0.486785  1
  Fe  Fe123  1  0.710847  0.225521  0.486785  1
  Fe  Fe124  1  0.083442  0.264789  0.468285  1
  Fe  Fe125  1  0.122575  0.637352  0.449716  1
  Fe  Fe126  1  0.455908  0.304019  0.449716  1
  Fe  Fe127  1  0.618585  0.952812  0.458198  1
  Fe  Fe128  1  0.951918  0.619478  0.458198  1
  Fe  Fe129  1  0.873458  0.874350  0.495298  1
  Fe  Fe130  1  0.245981  0.913541  0.476800  1
  Fe  Fe131  1  0.579315  0.580208  0.476800  1
  Fe  Fe132  1  0.912648  0.246874  0.476800  1
  Fe  Fe133  1  0.285252  0.286145  0.458198  1
  Fe  Fe134  1  0.206792  0.541017  0.495298  1
  Fe  Fe135  1  0.540125  0.207683  0.495298  1
  Fe  Fe136  1  0.597269  0.750984  0.468335  1
  Fe  Fe137  1  0.930602  0.417651  0.468335  1
  Fe  Fe138  1  0.969831  0.790117  0.449766  1
  Fe  Fe139  1  0.224668  0.711721  0.486836  1
  Fe  Fe140  1  0.558001  0.378387  0.486836  1
  Fe  Fe141  1  0.891334  0.045054  0.486836  1
  Fe  Fe142  1  0.263935  0.084317  0.468335  1
  Fe  Fe143  1  0.303165  0.456783  0.449766  1
  Fe  Fe144  1  0.636498  0.123450  0.449766  1
  Fe  Fe145  1  0.287535  0.621995  0.529269  1
  Fe  Fe146  1  0.620869  0.288661  0.529269  1
  Fe  Fe147  1  0.660132  0.661259  0.510793  1
  Fe  Fe148  1  0.915019  0.582813  0.547804  1
  Fe  Fe149  1  0.248353  0.249480  0.547804  1
  Fe  Fe150  1  0.581686  0.916146  0.547804  1
  Fe  Fe151  1  0.954202  0.955328  0.529269  1
  Fe  Fe152  1  0.993465  0.327925  0.510793  1
  Fe  Fe153  1  0.326798  0.994592  0.510793  1
  Fe  Fe154  1  0.299123  0.813873  0.523837  1
  Fe  Fe155  1  0.632457  0.480540  0.523837  1
  Fe  Fe156  1  0.671698  0.853080  0.505306  1
  Fe  Fe157  1  0.926503  0.774602  0.542370  1
  Fe  Fe158  1  0.259836  0.441268  0.542370  1
  Fe  Fe159  1  0.593169  0.107935  0.542370  1
  Fe  Fe160  1  0.965790  0.147207  0.523837  1
  Fe  Fe161  1  0.005031  0.519747  0.505306  1
  Fe  Fe162  1  0.338364  0.186414  0.505306  1
  Fe  Fe163  1  0.500873  0.835100  0.513819  1
  Fe  Fe164  1  0.834206  0.501766  0.513819  1
  Fe  Fe165  1  0.755891  0.756780  0.550867  1
  Fe  Fe166  1  0.128354  0.795913  0.532334  1
  Fe  Fe167  1  0.461688  0.462580  0.532334  1
  Fe  Fe168  1  0.795021  0.129246  0.532334  1
  Fe  Fe169  1  0.167540  0.168433  0.513819  1
  Fe  Fe170  1  0.089224  0.423447  0.550867  1
  Fe  Fe171  1  0.422558  0.090114  0.550867  1
  Fe  Fe172  1  0.479687  0.633330  0.523888  1
  Fe  Fe173  1  0.813020  0.299997  0.523888  1
  Fe  Fe174  1  0.852227  0.672572  0.505356  1
  Fe  Fe175  1  0.107084  0.594042  0.542420  1
  Fe  Fe176  1  0.440417  0.260708  0.542420  1
  Fe  Fe177  1  0.773750  0.927375  0.542420  1
  Fe  Fe178  1  0.146354  0.966664  0.523888  1
  Fe  Fe179  1  0.185560  0.339239  0.505356  1
  Fe  Fe180  1  0.518894  0.005905  0.505356  1
  Fe  Fe181  1  0.170075  0.504532  0.585211  1
  Fe  Fe182  1  0.503409  0.171199  0.585211  1
  Fe  Fe183  1  0.542488  0.543614  0.566362  1
  Fe  Fe184  1  0.797271  0.465062  0.603079  1
  Fe  Fe185  1  0.130604  0.131728  0.603079  1
  Fe  Fe186  1  0.463938  0.798395  0.603079  1
  Fe  Fe187  1  0.836742  0.837866  0.585211  1
  Fe  Fe188  1  0.875821  0.210280  0.566362  1
  Fe  Fe189  1  0.209154  0.876947  0.566362  1
  Fe  Fe190  1  0.181543  0.695953  0.579443  1
  Fe  Fe191  1  0.514877  0.362620  0.579443  1
  Fe  Fe192  1  0.554046  0.735354  0.560842  1
  Fe  Fe193  1  0.809082  0.657384  0.597918  1
  Fe  Fe194  1  0.142415  0.324050  0.597918  1
  Fe  Fe195  1  0.475748  0.990717  0.597918  1
  Fe  Fe196  1  0.848210  0.029286  0.579443  1
  Fe  Fe197  1  0.887379  0.402021  0.560842  1
  Fe  Fe198  1  0.220712  0.068687  0.560842  1
  Fe  Fe199  1  0.383170  0.717396  0.569355  1
  Fe  Fe200  1  0.716503  0.384063  0.569355  1
  Fe  Fe201  1  0.638256  0.639130  0.606321  1
  Fe  Fe202  1  0.010663  0.678215  0.588007  1
  Fe  Fe203  1  0.343996  0.344881  0.588007  1
  Fe  Fe204  1  0.677330  0.011548  0.588007  1
  Fe  Fe205  1  0.049836  0.050729  0.569355  1
  Fe  Fe206  1  0.971590  0.305797  0.606321  1
  Fe  Fe207  1  0.304923  0.972463  0.606321  1
  Fe  Fe208  1  0.361769  0.515749  0.579493  1
  Fe  Fe209  1  0.695103  0.182416  0.579493  1
  Fe  Fe210  1  0.734502  0.554920  0.560892  1
  Fe  Fe211  1  0.989873  0.476618  0.597968  1
  Fe  Fe212  1  0.323207  0.143285  0.597968  1
  Fe  Fe213  1  0.656540  0.809951  0.597968  1
  Fe  Fe214  1  0.028436  0.849083  0.579493  1
  Fe  Fe215  1  0.067835  0.221587  0.560892  1
  Fe  Fe216  1  0.401168  0.888253  0.560892  1
  Fe  Fe217  1  0.052150  0.386583  0.640447  1
  Fe  Fe218  1  0.385483  0.053250  0.640447  1
  Fe  Fe219  1  0.424807  0.425924  0.621707  1
  Fe  Fe220  1  0.679442  0.347207  0.658728  1
  Fe  Fe221  1  0.012775  0.013873  0.658728  1
  Fe  Fe222  1  0.346108  0.680540  0.658728  1
  Fe  Fe223  1  0.718817  0.719917  0.640447  1
  Fe  Fe224  1  0.758141  0.092590  0.621707  1
  Fe  Fe225  1  0.091474  0.759257  0.621707  1
  Fe  Fe226  1  0.063341  0.578441  0.634930  1
  Fe  Fe227  1  0.396674  0.245107  0.634930  1
  Fe  Fe228  1  0.436174  0.617604  0.616319  1
  Fe  Fe229  1  0.691598  0.539331  0.653513  1
  Fe  Fe230  1  0.024931  0.205998  0.653513  1
  Fe  Fe231  1  0.358264  0.872665  0.653513  1
  Fe  Fe232  1  0.730008  0.911774  0.634930  1
  Fe  Fe233  1  0.769508  0.284270  0.616319  1
  Fe  Fe234  1  0.102841  0.950937  0.616319  1
  Fe  Fe235  1  0.265946  0.600145  0.624941  1
  Fe  Fe236  1  0.599279  0.266811  0.624941  1
  Fe  Fe237  1  0.520371  0.521250  0.661993  1
  Fe  Fe238  1  0.892596  0.560109  0.643367  1
  Fe  Fe239  1  0.225930  0.226776  0.643367  1
  Fe  Fe240  1  0.559263  0.893443  0.643367  1
  Fe  Fe241  1  0.932613  0.933478  0.624941  1
  Fe  Fe242  1  0.853704  0.187917  0.661993  1
  Fe  Fe243  1  0.187037  0.854583  0.661993  1
  Fe  Fe244  1  0.244283  0.397531  0.634978  1
  Fe  Fe245  1  0.577616  0.064198  0.634978  1
  Fe  Fe246  1  0.616764  0.437046  0.616368  1
  Fe  Fe247  1  0.871836  0.359119  0.653567  1
  Fe  Fe248  1  0.205170  0.025786  0.653567  1
  Fe  Fe249  1  0.538503  0.692453  0.653567  1
  Fe  Fe250  1  0.910949  0.730865  0.634978  1
  Fe  Fe251  1  0.950097  0.103713  0.616368  1
  Fe  Fe252  1  0.283430  0.770379  0.616368  1
  Fe  Fe253  1  0.935207  0.269679  0.697267  1
  Fe  Fe254  1  0.268541  0.936346  0.697267  1
  Fe  Fe255  1  0.307304  0.308389  0.676367  1
  Fe  Fe256  1  0.562635  0.230265  0.715474  1
  Fe  Fe257  1  0.895968  0.896932  0.715474  1
  Fe  Fe258  1  0.229301  0.563599  0.715474  1
  Fe  Fe259  1  0.601874  0.603013  0.697267  1
  Fe  Fe260  1  0.640638  0.975056  0.676367  1
  Fe  Fe261  1  0.973971  0.641723  0.676367  1
  Fe  Fe262  1  0.945332  0.461171  0.689966  1
  Fe  Fe263  1  0.278665  0.127838  0.689966  1
  Fe  Fe264  1  0.319835  0.497101  0.672656  1
  Fe  Fe265  1  0.573262  0.422704  0.708565  1
  Fe  Fe266  1  0.906596  0.089370  0.708565  1
  Fe  Fe267  1  0.239929  0.756037  0.708565  1
  Fe  Fe268  1  0.611998  0.794505  0.689966  1
  Fe  Fe269  1  0.653168  0.163768  0.672656  1
  Fe  Fe270  1  0.986501  0.830435  0.672656  1
  Fe  Fe271  1  0.147928  0.481993  0.681054  1
  Fe  Fe272  1  0.481261  0.148659  0.681054  1
  Fe  Fe273  1  0.407003  0.407812  0.717044  1
  Fe  Fe274  1  0.775294  0.442922  0.698394  1
  Fe  Fe275  1  0.108628  0.109589  0.698394  1
  Fe  Fe276  1  0.441961  0.776256  0.698394  1
  Fe  Fe277  1  0.814594  0.815326  0.681054  1
  Fe  Fe278  1  0.740336  0.074479  0.717044  1
  Fe  Fe279  1  0.073670  0.741146  0.717044  1
  Fe  Fe280  1  0.127199  0.279491  0.690009  1
  Fe  Fe281  1  0.460532  0.946158  0.690009  1
  Fe  Fe282  1  0.496336  0.320668  0.672698  1
  Fe  Fe283  1  0.755208  0.240764  0.708606  1
  Fe  Fe284  1  0.088541  0.907430  0.708606  1
  Fe  Fe285  1  0.421874  0.574097  0.708606  1
  Fe  Fe286  1  0.793865  0.612825  0.690009  1
  Fe  Fe287  1  0.829669  0.987334  0.672698  1
  Fe  Fe288  1  0.163002  0.654001  0.672698  1
  C  C289  1  0.891862  0.226121  0.285924  1
  C  C290  1  0.225195  0.892787  0.285924  1
  C  C291  1  0.146659  0.147619  0.324074  1
  C  C292  1  0.519304  0.186986  0.304315  1
  C  C293  1  0.852637  0.853653  0.304315  1
  C  C294  1  0.185971  0.520320  0.304315  1
  C  C295  1  0.558529  0.559454  0.285924  1
  C  C296  1  0.479992  0.814285  0.324074  1
  C  C297  1  0.813326  0.480952  0.324074  1
  C  C298  1  0.773800  0.108078  0.342317  1
  C  C299  1  0.107134  0.774744  0.342317  1
  C  C300  1  0.028831  0.029752  0.379103  1
  C  C301  1  0.401040  0.068653  0.360666  1
  C  C302  1  0.734373  0.735320  0.360666  1
  C  C303  1  0.067707  0.401986  0.360666  1
  C  C304  1  0.440467  0.441411  0.342317  1
  C  C305  1  0.362164  0.696419  0.379103  1
  C  C306  1  0.695498  0.363086  0.379103  1
  C  C307  1  0.656576  0.990837  0.397594  1
  C  C308  1  0.989910  0.657504  0.397594  1
  C  C309  1  0.911354  0.912276  0.434722  1
  C  C310  1  0.283879  0.951468  0.416274  1
  C  C311  1  0.617213  0.618135  0.416274  1
  C  C312  1  0.950546  0.284801  0.416274  1
  C  C313  1  0.323243  0.324170  0.397594  1
  C  C314  1  0.244687  0.578943  0.434722  1
  C  C315  1  0.578021  0.245609  0.434722  1
  C  C316  1  0.538887  0.873142  0.453272  1
  C  C317  1  0.872220  0.539808  0.453272  1
  C  C318  1  0.793792  0.794712  0.490292  1
  C  C319  1  0.166316  0.833904  0.471783  1
  C  C320  1  0.499650  0.500570  0.471783  1
  C  C321  1  0.832983  0.167237  0.471783  1
  C  C322  1  0.205553  0.206475  0.453272  1
  C  C323  1  0.127125  0.461379  0.490292  1
  C  C324  1  0.460458  0.128046  0.490292  1
  C  C325  1  0.421200  0.755454  0.508820  1
  C  C326  1  0.754534  0.422121  0.508820  1
  C  C327  1  0.676216  0.677138  0.545856  1
  C  C328  1  0.048671  0.716257  0.527392  1
  C  C329  1  0.382004  0.382923  0.527392  1
  C  C330  1  0.715337  0.049590  0.527392  1
  C  C331  1  0.087867  0.088788  0.508820  1
  C  C332  1  0.009550  0.343804  0.545856  1
  C  C333  1  0.342883  0.010471  0.545856  1
  C  C334  1  0.303506  0.637758  0.564338  1
  C  C335  1  0.636840  0.304425  0.564338  1
  C  C336  1  0.558538  0.559459  0.601434  1
  C  C337  1  0.931032  0.598613  0.582869  1
  C  C338  1  0.264365  0.265280  0.582869  1
  C  C339  1  0.597698  0.931946  0.582869  1
  C  C340  1  0.970173  0.971092  0.564338  1
  C  C341  1  0.891872  0.226126  0.601434  1
  C  C342  1  0.225205  0.892792  0.601434  1
  C  C343  1  0.186175  0.520419  0.620307  1
  C  C344  1  0.519508  0.187086  0.620307  1
  C  C345  1  0.440813  0.441696  0.656731  1
  C  C346  1  0.813013  0.480569  0.638146  1
  C  C347  1  0.146346  0.147235  0.638146  1
  C  C348  1  0.479679  0.813902  0.638146  1
  C  C349  1  0.852842  0.853752  0.620307  1
  C  C350  1  0.774146  0.108362  0.656731  1
  C  C351  1  0.107480  0.775029  0.656731  1
  C  C352  1  0.068358  0.402556  0.675480  1
  C  C353  1  0.401691  0.069222  0.675480  1
  C  C354  1  0.320927  0.321626  0.714293  1
  C  C355  1  0.695491  0.363058  0.693778  1
  C  C356  1  0.028824  0.029724  0.693778  1
  C  C357  1  0.362158  0.696391  0.693778  1
  C  C358  1  0.735024  0.735889  0.675480  1
  C  C359  1  0.654260  0.988293  0.714293  1
  C  C360  1  0.987594  0.654959  0.714293  1
