# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79073980
_cell_length_b   17.13470134
_cell_length_c   45.96390631
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.85921774
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe150 C60'
_cell_volume   3737.63996439
_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  0.542575  0.772236  0.290548  1
  Fe  Fe2  1  0.219375  0.069135  0.322242  1
  Fe  Fe3  1  0.872253  0.365951  0.353688  1
  Fe  Fe4  1  0.786336  0.905008  0.288507  1
  Fe  Fe5  1  0.435896  0.200460  0.319425  1
  Fe  Fe6  1  0.078246  0.494922  0.348922  1
  Fe  Fe7  1  0.181258  0.629486  0.344443  1
  Fe  Fe8  1  0.887435  0.036635  0.283817  1
  Fe  Fe9  1  0.537036  0.333289  0.314567  1
  Fe  Fe10  1  0.989103  0.684830  0.299077  1
  Fe  Fe11  1  0.645493  0.982755  0.329188  1
  Fe  Fe12  1  0.291629  0.277612  0.360326  1
  Fe  Fe13  1  0.364106  0.989508  0.281360  1
  Fe  Fe14  1  0.021189  0.287489  0.313147  1
  Fe  Fe15  1  0.658932  0.584508  0.342595  1
  Fe  Fe16  1  0.686872  0.718066  0.338212  1
  Fe  Fe17  1  0.415579  0.126914  0.275850  1
  Fe  Fe18  1  0.065106  0.417980  0.306238  1
  Fe  Fe19  1  0.138957  0.811385  0.312992  1
  Fe  Fe20  1  0.784107  0.107182  0.343609  1
  Fe  Fe21  1  0.462319  0.505657  0.283061  1
  Fe  Fe22  1  0.613669  0.846070  0.333570  1
  Fe  Fe23  1  0.259750  0.144300  0.365280  1
  Fe  Fe24  1  0.964133  0.552541  0.303370  1
  Fe  Fe25  1  0.122173  0.937230  0.327812  1
  Fe  Fe26  1  0.769695  0.232661  0.358230  1
  Fe  Fe27  1  0.467119  0.638241  0.297269  1
  Fe  Fe28  1  0.164051  0.754908  0.358611  1
  Fe  Fe29  1  0.872812  0.161913  0.298744  1
  Fe  Fe30  1  0.518632  0.458644  0.329300  1
  Fe  Fe31  1  0.513462  0.661861  0.382820  1
  Fe  Fe32  1  0.165444  0.958844  0.412933  1
  Fe  Fe33  1  0.813832  0.255142  0.443899  1
  Fe  Fe34  1  0.737142  0.794185  0.379662  1
  Fe  Fe35  1  0.383902  0.090031  0.410366  1
  Fe  Fe36  1  0.030989  0.386595  0.440208  1
  Fe  Fe37  1  0.129555  0.519686  0.435246  1
  Fe  Fe38  1  0.833557  0.926893  0.374439  1
  Fe  Fe39  1  0.482730  0.222945  0.405531  1
  Fe  Fe40  1  0.938049  0.575131  0.389983  1
  Fe  Fe41  1  0.588422  0.871551  0.419885  1
  Fe  Fe42  1  0.236495  0.167552  0.450855  1
  Fe  Fe43  1  0.312925  0.881261  0.372597  1
  Fe  Fe44  1  0.960794  0.177427  0.403560  1
  Fe  Fe45  1  0.605367  0.473914  0.433282  1
  Fe  Fe46  1  0.638882  0.607500  0.428433  1
  Fe  Fe47  1  0.345253  0.014697  0.367690  1
  Fe  Fe48  1  0.992120  0.310517  0.398719  1
  Fe  Fe49  1  0.085895  0.700744  0.403753  1
  Fe  Fe50  1  0.732831  0.996941  0.434269  1
  Fe  Fe51  1  0.438191  0.403766  0.374168  1
  Fe  Fe52  1  0.556819  0.737924  0.424586  1
  Fe  Fe53  1  0.204588  0.034007  0.455578  1
  Fe  Fe54  1  0.904944  0.441944  0.394934  1
  Fe  Fe55  1  0.068120  0.825871  0.417854  1
  Fe  Fe56  1  0.715152  0.122062  0.448755  1
  Fe  Fe57  1  0.411670  0.529479  0.387862  1
  Fe  Fe58  1  0.108879  0.644886  0.449255  1
  Fe  Fe59  1  0.817243  0.051805  0.389149  1
  Fe  Fe60  1  0.460141  0.348496  0.419401  1
  Fe  Fe61  1  0.460419  0.551756  0.473582  1
  Fe  Fe62  1  0.109966  0.848377  0.503515  1
  Fe  Fe63  1  0.758650  0.144462  0.534389  1
  Fe  Fe64  1  0.680091  0.683482  0.470066  1
  Fe  Fe65  1  0.328774  0.979567  0.500941  1
  Fe  Fe66  1  0.978321  0.276188  0.530874  1
  Fe  Fe67  1  0.077162  0.409100  0.525945  1
  Fe  Fe68  1  0.778911  0.816339  0.465179  1
  Fe  Fe69  1  0.427435  0.112370  0.496032  1
  Fe  Fe70  1  0.884541  0.464570  0.480616  1
  Fe  Fe71  1  0.533201  0.761090  0.510496  1
  Fe  Fe72  1  0.180548  0.057140  0.541445  1
  Fe  Fe73  1  0.258192  0.770804  0.463010  1
  Fe  Fe74  1  0.905540  0.066854  0.493960  1
  Fe  Fe75  1  0.554199  0.363374  0.523839  1
  Fe  Fe76  1  0.585459  0.496821  0.519061  1
  Fe  Fe77  1  0.289435  0.904136  0.458318  1
  Fe  Fe78  1  0.937280  0.200356  0.489307  1
  Fe  Fe79  1  0.032395  0.590107  0.494424  1
  Fe  Fe80  1  0.677196  0.886655  0.524853  1
  Fe  Fe81  1  0.384127  0.293413  0.464675  1
  Fe  Fe82  1  0.501460  0.627588  0.515148  1
  Fe  Fe83  1  0.149305  0.923807  0.546138  1
  Fe  Fe84  1  0.853281  0.331123  0.485395  1
  Fe  Fe85  1  0.011305  0.715574  0.508424  1
  Fe  Fe86  1  0.659829  0.011605  0.539277  1
  Fe  Fe87  1  0.361578  0.418843  0.478511  1
  Fe  Fe88  1  0.054613  0.534531  0.539781  1
  Fe  Fe89  1  0.761544  0.941289  0.479603  1
  Fe  Fe90  1  0.406345  0.237837  0.510032  1
  Fe  Fe91  1  0.407751  0.441349  0.564248  1
  Fe  Fe92  1  0.054838  0.737913  0.594090  1
  Fe  Fe93  1  0.701599  0.033758  0.624793  1
  Fe  Fe94  1  0.624908  0.572802  0.560556  1
  Fe  Fe95  1  0.273296  0.869100  0.591523  1
  Fe  Fe96  1  0.925278  0.166083  0.621636  1
  Fe  Fe97  1  0.027070  0.298465  0.616593  1
  Fe  Fe98  1  0.723588  0.705882  0.555701  1
  Fe  Fe99  1  0.370620  0.002072  0.586602  1
  Fe  Fe100  1  0.833373  0.354030  0.571173  1
  Fe  Fe101  1  0.477946  0.650517  0.600896  1
  Fe  Fe102  1  0.125815  0.946683  0.631859  1
  Fe  Fe103  1  0.202246  0.660392  0.553601  1
  Fe  Fe104  1  0.850318  0.956393  0.584570  1
  Fe  Fe105  1  0.500691  0.252813  0.614473  1
  Fe  Fe106  1  0.533796  0.386000  0.609521  1
  Fe  Fe107  1  0.234152  0.793937  0.548878  1
  Fe  Fe108  1  0.881921  0.090019  0.579869  1
  Fe  Fe109  1  0.978600  0.479448  0.585055  1
  Fe  Fe110  1  0.621497  0.776138  0.615306  1
  Fe  Fe111  1  0.329861  0.183057  0.555201  1
  Fe  Fe112  1  0.446620  0.517427  0.605736  1
  Fe  Fe113  1  0.093487  0.813247  0.636766  1
  Fe  Fe114  1  0.799858  0.220444  0.576023  1
  Fe  Fe115  1  0.956010  0.604999  0.598925  1
  Fe  Fe116  1  0.605183  0.901051  0.630017  1
  Fe  Fe117  1  0.309185  0.308258  0.569209  1
  Fe  Fe118  1  0.000549  0.424178  0.630287  1
  Fe  Fe119  1  0.705909  0.831002  0.570187  1
  Fe  Fe120  1  0.352845  0.127199  0.600702  1
  Fe  Fe121  1  0.360494  0.333021  0.655534  1
  Fe  Fe122  1  0.002844  0.627484  0.685031  1
  Fe  Fe123  1  0.652404  0.922936  0.715948  1
  Fe  Fe124  1  0.566487  0.461993  0.650767  1
  Fe  Fe125  1  0.219365  0.758809  0.682214  1
  Fe  Fe126  1  0.896165  0.055708  0.713908  1
  Fe  Fe127  1  0.971621  0.189703  0.707186  1
  Fe  Fe128  1  0.669046  0.595283  0.646225  1
  Fe  Fe129  1  0.316567  0.890713  0.676643  1
  Fe  Fe130  1  0.779808  0.243436  0.661861  1
  Fe  Fe131  1  0.417551  0.540455  0.691309  1
  Fe  Fe132  1  0.074634  0.838436  0.723096  1
  Fe  Fe133  1  0.147111  0.550332  0.644130  1
  Fe  Fe134  1  0.793247  0.845189  0.675268  1
  Fe  Fe135  1  0.449637  0.143114  0.705379  1
  Fe  Fe136  1  0.474607  0.275402  0.701086  1
  Fe  Fe137  1  0.178990  0.683644  0.639176  1
  Fe  Fe138  1  0.825071  0.981874  0.670886  1
  Fe  Fe139  1  0.920108  0.369300  0.675156  1
  Fe  Fe140  1  0.565928  0.666031  0.705712  1
  Fe  Fe141  1  0.274689  0.073035  0.645844  1
  Fe  Fe142  1  0.373634  0.409964  0.698217  1
  Fe  Fe143  1  0.023161  0.701029  0.728606  1
  Fe  Fe144  1  0.751868  0.109878  0.666244  1
  Fe  Fe145  1  0.901704  0.494655  0.689889  1
  Fe  Fe146  1  0.551306  0.791308  0.720638  1
  Fe  Fe147  1  0.257482  0.198458  0.660012  1
  Fe  Fe148  1  0.976421  0.322286  0.721395  1
  Fe  Fe149  1  0.654633  0.720762  0.660847  1
  Fe  Fe150  1  0.299783  0.016559  0.691464  1
  C  C151  1  0.320155  0.720514  0.321568  1
  C  C152  1  0.975927  0.018125  0.351835  1
  C  C153  1  0.689660  0.425411  0.292974  1
  C  C154  1  0.417422  0.900949  0.305356  1
  C  C155  1  0.065613  0.196048  0.335970  1
  C  C156  1  0.710723  0.494121  0.365726  1
  C  C157  1  0.924919  0.776677  0.277406  1
  C  C158  1  0.590685  0.072919  0.306040  1
  C  C159  1  0.243124  0.368739  0.337465  1
  C  C160  1  0.981291  0.845508  0.350193  1
  C  C161  1  0.688543  0.252504  0.290805  1
  C  C162  1  0.328407  0.547437  0.320213  1
  C  C163  1  0.270213  0.610527  0.412361  1
  C  C164  1  0.920654  0.906987  0.442247  1
  C  C165  1  0.623748  0.313679  0.382609  1
  C  C166  1  0.363377  0.789964  0.395274  1
  C  C167  1  0.011471  0.086271  0.426307  1
  C  C168  1  0.658895  0.383222  0.456171  1
  C  C169  1  0.886132  0.665700  0.366954  1
  C  C170  1  0.538011  0.962566  0.397037  1
  C  C171  1  0.186230  0.258564  0.428001  1
  C  C172  1  0.925228  0.735297  0.440773  1
  C  C173  1  0.629588  0.141731  0.381086  1
  C  C174  1  0.274202  0.438407  0.410761  1
  C  C175  1  0.216842  0.499877  0.502987  1
  C  C176  1  0.865122  0.796747  0.532873  1
  C  C177  1  0.568797  0.203195  0.473175  1
  C  C178  1  0.307532  0.679859  0.485941  1
  C  C179  1  0.956104  0.975862  0.516809  1
  C  C180  1  0.605957  0.272637  0.546784  1
  C  C181  1  0.832783  0.555307  0.457671  1
  C  C182  1  0.482636  0.852082  0.487646  1
  C  C183  1  0.131208  0.148085  0.518515  1
  C  C184  1  0.869943  0.624748  0.531281  1
  C  C185  1  0.573618  0.031197  0.471583  1
  C  C186  1  0.221898  0.328067  0.501469  1
  C  C187  1  0.164538  0.389537  0.593695  1
  C  C188  1  0.809152  0.686213  0.623369  1
  C  C189  1  0.513512  0.092646  0.563683  1
  C  C190  1  0.252510  0.569380  0.576454  1
  C  C191  1  0.900729  0.865378  0.607418  1
  C  C192  1  0.552608  0.162244  0.637501  1
  C  C193  1  0.779845  0.444722  0.548284  1
  C  C194  1  0.427269  0.741673  0.578148  1
  C  C195  1  0.075363  0.037979  0.609182  1
  C  C196  1  0.814992  0.514265  0.621847  1
  C  C197  1  0.518086  0.920957  0.562208  1
  C  C198  1  0.168528  0.217417  0.592095  1
  C  C199  1  0.110334  0.280507  0.684243  1
  C  C200  1  0.750197  0.575440  0.713650  1
  C  C201  1  0.457449  0.982436  0.654262  1
  C  C202  1  0.195616  0.459205  0.666990  1
  C  C203  1  0.848055  0.755025  0.698416  1
  C  C204  1  0.513821  0.051267  0.727050  1
  C  C205  1  0.728017  0.333823  0.638730  1
  C  C206  1  0.373127  0.631895  0.668486  1
  C  C207  1  0.021318  0.926995  0.699099  1
  C  C208  1  0.749081  0.402533  0.711482  1
  C  C209  1  0.462813  0.809819  0.652621  1
  C  C210  1  0.118585  0.107430  0.682887  1
