# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79135633
_cell_length_b   15.86187496
_cell_length_c   49.62173287
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.40064158
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe150 C60'
_cell_volume   3730.78364338
_cell_formula_units_Z   30
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  0.822017  0.294643  0.360805  1
  Fe  Fe2  1  0.485305  0.615949  0.330404  1
  Fe  Fe3  1  0.136131  0.934014  0.300194  1
  Fe  Fe4  1  0.036719  0.410882  0.334554  1
  Fe  Fe5  1  0.686974  0.730041  0.304217  1
  Fe  Fe6  1  0.349915  0.046431  0.273757  1
  Fe  Fe7  1  0.462796  0.205392  0.336564  1
  Fe  Fe8  1  0.122180  0.524304  0.306331  1
  Fe  Fe9  1  0.783262  0.845076  0.276326  1
  Fe  Fe10  1  0.236156  0.185038  0.291351  1
  Fe  Fe11  1  0.917007  0.545582  0.351472  1
  Fe  Fe12  1  0.572191  0.865164  0.322281  1
  Fe  Fe13  1  0.603078  0.480573  0.313349  1
  Fe  Fe14  1  0.261545  0.801542  0.283164  1
  Fe  Fe15  1  0.941058  0.160690  0.343460  1
  Fe  Fe16  1  0.961063  0.277019  0.315567  1
  Fe  Fe17  1  0.636440  0.591999  0.283798  1
  Fe  Fe18  1  0.299681  0.956975  0.345961  1
  Fe  Fe19  1  0.398124  0.328785  0.279894  1
  Fe  Fe20  1  0.064081  0.682956  0.340132  1
  Fe  Fe21  1  0.723830  0.001338  0.308947  1
  Fe  Fe22  1  0.879932  0.387524  0.288324  1
  Fe  Fe23  1  0.549541  0.750618  0.350013  1
  Fe  Fe24  1  0.213063  0.069441  0.319550  1
  Fe  Fe25  1  0.397401  0.500734  0.358585  1
  Fe  Fe26  1  0.047655  0.820834  0.328667  1
  Fe  Fe27  1  0.722127  0.142693  0.298237  1
  Fe  Fe28  1  0.451727  0.342740  0.325283  1
  Fe  Fe29  1  0.116994  0.662533  0.294947  1
  Fe  Fe30  1  0.788146  0.023224  0.355483  1
  Fe  Fe31  1  0.842167  0.336157  0.451792  1
  Fe  Fe32  1  0.503036  0.656040  0.421286  1
  Fe  Fe33  1  0.159745  0.975638  0.391269  1
  Fe  Fe34  1  0.055176  0.452073  0.425448  1
  Fe  Fe35  1  0.711536  0.771352  0.395552  1
  Fe  Fe36  1  0.375602  0.091980  0.364642  1
  Fe  Fe37  1  0.482538  0.246330  0.427760  1
  Fe  Fe38  1  0.143498  0.565889  0.397229  1
  Fe  Fe39  1  0.799639  0.885897  0.367170  1
  Fe  Fe40  1  0.255296  0.226008  0.382256  1
  Fe  Fe41  1  0.936529  0.586640  0.442759  1
  Fe  Fe42  1  0.593574  0.906790  0.412699  1
  Fe  Fe43  1  0.622843  0.521006  0.404002  1
  Fe  Fe44  1  0.275846  0.841289  0.374091  1
  Fe  Fe45  1  0.961551  0.201353  0.434385  1
  Fe  Fe46  1  0.983717  0.316785  0.406336  1
  Fe  Fe47  1  0.644478  0.635234  0.375801  1
  Fe  Fe48  1  0.321716  0.997511  0.436842  1
  Fe  Fe49  1  0.407006  0.363281  0.370346  1
  Fe  Fe50  1  0.084287  0.724135  0.431060  1
  Fe  Fe51  1  0.747247  0.044128  0.400641  1
  Fe  Fe52  1  0.894028  0.430023  0.380075  1
  Fe  Fe53  1  0.571175  0.791885  0.440868  1
  Fe  Fe54  1  0.233200  0.110454  0.410301  1
  Fe  Fe55  1  0.414874  0.541874  0.449511  1
  Fe  Fe56  1  0.071124  0.861831  0.419476  1
  Fe  Fe57  1  0.734398  0.180854  0.388902  1
  Fe  Fe58  1  0.470046  0.383598  0.415999  1
  Fe  Fe59  1  0.131450  0.703269  0.385727  1
  Fe  Fe60  1  0.808640  0.064163  0.446462  1
  Fe  Fe61  1  0.861652  0.377317  0.542813  1
  Fe  Fe62  1  0.523137  0.697176  0.512257  1
  Fe  Fe63  1  0.180853  0.016742  0.482248  1
  Fe  Fe64  1  0.075054  0.493154  0.516425  1
  Fe  Fe65  1  0.732770  0.812720  0.486415  1
  Fe  Fe66  1  0.394255  0.132578  0.455860  1
  Fe  Fe67  1  0.502092  0.287621  0.518725  1
  Fe  Fe68  1  0.163517  0.607077  0.488206  1
  Fe  Fe69  1  0.821166  0.926855  0.458230  1
  Fe  Fe70  1  0.275100  0.267290  0.473257  1
  Fe  Fe71  1  0.956931  0.627736  0.533717  1
  Fe  Fe72  1  0.614153  0.947766  0.503695  1
  Fe  Fe73  1  0.641754  0.562129  0.494977  1
  Fe  Fe74  1  0.298975  0.882159  0.464955  1
  Fe  Fe75  1  0.980807  0.242605  0.525416  1
  Fe  Fe76  1  0.003412  0.357968  0.497344  1
  Fe  Fe77  1  0.664379  0.677007  0.466829  1
  Fe  Fe78  1  0.342320  0.038570  0.527754  1
  Fe  Fe79  1  0.427305  0.404552  0.461247  1
  Fe  Fe80  1  0.105013  0.765300  0.522022  1
  Fe  Fe81  1  0.766337  0.085146  0.491676  1
  Fe  Fe82  1  0.913587  0.471326  0.470918  1
  Fe  Fe83  1  0.591528  0.832889  0.531844  1
  Fe  Fe84  1  0.252494  0.151927  0.501328  1
  Fe  Fe85  1  0.434740  0.583040  0.540443  1
  Fe  Fe86  1  0.092389  0.902819  0.510466  1
  Fe  Fe87  1  0.753815  0.222275  0.479948  1
  Fe  Fe88  1  0.489570  0.424750  0.506996  1
  Fe  Fe89  1  0.150894  0.744596  0.476651  1
  Fe  Fe90  1  0.828601  0.105343  0.537425  1
  Fe  Fe91  1  0.880305  0.417916  0.634031  1
  Fe  Fe92  1  0.544371  0.738543  0.603121  1
  Fe  Fe93  1  0.200731  0.057823  0.573225  1
  Fe  Fe94  1  0.096162  0.534257  0.607403  1
  Fe  Fe95  1  0.752871  0.853855  0.577387  1
  Fe  Fe96  1  0.413740  0.173738  0.546880  1
  Fe  Fe97  1  0.521508  0.329041  0.609770  1
  Fe  Fe98  1  0.184783  0.648065  0.579197  1
  Fe  Fe99  1  0.841033  0.968022  0.549162  1
  Fe  Fe100  1  0.294356  0.308542  0.564287  1
  Fe  Fe101  1  0.980061  0.668606  0.624582  1
  Fe  Fe102  1  0.633064  0.988889  0.594670  1
  Fe  Fe103  1  0.662333  0.603105  0.585974  1
  Fe  Fe104  1  0.319378  0.923256  0.555913  1
  Fe  Fe105  1  0.000611  0.283888  0.616417  1
  Fe  Fe106  1  0.022707  0.399442  0.588371  1
  Fe  Fe107  1  0.684732  0.718010  0.557804  1
  Fe  Fe108  1  0.361879  0.079872  0.618598  1
  Fe  Fe109  1  0.447267  0.445733  0.552211  1
  Fe  Fe110  1  0.124457  0.806626  0.612945  1
  Fe  Fe111  1  0.785861  0.126298  0.582673  1
  Fe  Fe112  1  0.934191  0.512384  0.561830  1
  Fe  Fe113  1  0.611429  0.874662  0.622871  1
  Fe  Fe114  1  0.272190  0.193111  0.592337  1
  Fe  Fe115  1  0.456267  0.623999  0.631503  1
  Fe  Fe116  1  0.112409  0.944007  0.601444  1
  Fe  Fe117  1  0.773369  0.263565  0.570912  1
  Fe  Fe118  1  0.508660  0.465767  0.598031  1
  Fe  Fe119  1  0.171620  0.785760  0.567613  1
  Fe  Fe120  1  0.848901  0.146615  0.628327  1
  Fe  Fe121  1  0.905992  0.463465  0.724916  1
  Fe  Fe122  1  0.568933  0.779855  0.694455  1
  Fe  Fe123  1  0.219188  0.099014  0.664118  1
  Fe  Fe124  1  0.119776  0.575882  0.698479  1
  Fe  Fe125  1  0.770602  0.893946  0.668268  1
  Fe  Fe126  1  0.433889  0.215253  0.637867  1
  Fe  Fe127  1  0.533780  0.367202  0.700435  1
  Fe  Fe128  1  0.208252  0.689061  0.670006  1
  Fe  Fe129  1  0.858506  0.009161  0.640088  1
  Fe  Fe130  1  0.314849  0.349205  0.655212  1
  Fe  Fe131  1  0.994362  0.708353  0.715509  1
  Fe  Fe132  1  0.652829  0.029322  0.685324  1
  Fe  Fe133  1  0.683716  0.644731  0.676391  1
  Fe  Fe134  1  0.338900  0.964313  0.647201  1
  Fe  Fe135  1  0.019750  0.324857  0.707322  1
  Fe  Fe136  1  0.042843  0.440454  0.679122  1
  Fe  Fe137  1  0.706366  0.759277  0.648659  1
  Fe  Fe138  1  0.375975  0.122372  0.710348  1
  Fe  Fe139  1  0.467761  0.486672  0.643189  1
  Fe  Fe140  1  0.138912  0.847362  0.703726  1
  Fe  Fe141  1  0.804180  0.167155  0.673389  1
  Fe  Fe142  1  0.956225  0.552921  0.652712  1
  Fe  Fe143  1  0.619467  0.917896  0.714875  1
  Fe  Fe144  1  0.294844  0.232877  0.683106  1
  Fe  Fe145  1  0.472645  0.664820  0.722347  1
  Fe  Fe146  1  0.133727  0.985592  0.692342  1
  Fe  Fe147  1  0.793111  0.304503  0.662109  1
  Fe  Fe148  1  0.532077  0.508558  0.689725  1
  Fe  Fe149  1  0.191825  0.826940  0.658540  1
  Fe  Fe150  1  0.857782  0.181111  0.718778  1
  C  C151  1  0.581040  0.254150  0.302213  1
  C  C152  1  0.263183  0.613223  0.362737  1
  C  C153  1  0.918983  0.934025  0.332759  1
  C  C154  1  0.675751  0.431814  0.347638  1
  C  C155  1  0.330098  0.753446  0.317680  1
  C  C156  1  0.995262  0.072127  0.287128  1
  C  C157  1  0.182676  0.273367  0.347734  1
  C  C158  1  0.843518  0.593424  0.317031  1
  C  C159  1  0.495058  0.909996  0.287524  1
  C  C160  1  0.257653  0.412366  0.302182  1
  C  C161  1  0.916753  0.732049  0.272416  1
  C  C162  1  0.595517  0.092705  0.332205  1
  C  C163  1  0.602644  0.293530  0.393265  1
  C  C164  1  0.283257  0.654580  0.453736  1
  C  C165  1  0.940690  0.974351  0.423754  1
  C  C166  1  0.694699  0.473540  0.438527  1
  C  C167  1  0.351642  0.793748  0.408503  1
  C  C168  1  0.014973  0.112834  0.377874  1
  C  C169  1  0.202642  0.314652  0.438730  1
  C  C170  1  0.862993  0.633924  0.408249  1
  C  C171  1  0.520520  0.954401  0.378224  1
  C  C172  1  0.275423  0.453474  0.393028  1
  C  C173  1  0.930808  0.772467  0.363088  1
  C  C174  1  0.614048  0.133823  0.423415  1
  C  C175  1  0.622448  0.334880  0.484241  1
  C  C176  1  0.303555  0.695686  0.544718  1
  C  C177  1  0.961193  0.015477  0.514697  1
  C  C178  1  0.714625  0.514702  0.529483  1
  C  C179  1  0.372645  0.834707  0.499436  1
  C  C180  1  0.033712  0.154023  0.468923  1
  C  C181  1  0.222195  0.355873  0.529749  1
  C  C182  1  0.883262  0.675188  0.499236  1
  C  C183  1  0.541282  0.995194  0.469190  1
  C  C184  1  0.294714  0.494419  0.483976  1
  C  C185  1  0.952352  0.814209  0.453954  1
  C  C186  1  0.633459  0.175016  0.514432  1
  C  C187  1  0.641859  0.376073  0.575257  1
  C  C188  1  0.325099  0.737428  0.635584  1
  C  C189  1  0.980484  0.056422  0.605645  1
  C  C190  1  0.735387  0.555495  0.620448  1
  C  C191  1  0.392914  0.875971  0.590423  1
  C  C192  1  0.053265  0.195244  0.559942  1
  C  C193  1  0.240934  0.397061  0.620798  1
  C  C194  1  0.904265  0.716147  0.590170  1
  C  C195  1  0.561208  0.036355  0.560146  1
  C  C196  1  0.315217  0.535544  0.574918  1
  C  C197  1  0.972649  0.855315  0.544936  1
  C  C198  1  0.653262  0.216365  0.605407  1
  C  C199  1  0.660390  0.417190  0.666468  1
  C  C200  1  0.339153  0.777846  0.726256  1
  C  C201  1  0.998253  0.097529  0.696490  1
  C  C202  1  0.760849  0.599899  0.711148  1
  C  C203  1  0.412389  0.916471  0.681641  1
  C  C204  1  0.073231  0.236528  0.650939  1
  C  C205  1  0.260645  0.437768  0.711545  1
  C  C206  1  0.925809  0.756449  0.680993  1
  C  C207  1  0.580156  0.078081  0.651034  1
  C  C208  1  0.336924  0.575870  0.665913  1
  C  C209  1  0.992724  0.896672  0.635935  1
  C  C210  1  0.674867  0.255746  0.696460  1
