# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.50965592
_cell_length_b   5.75059568
_cell_length_c   48.84003371
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.51534921
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe150 C60'
_cell_volume   4073.74642773
_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  0.253735  0.568594  0.304713  1
  Fe  Fe2  1  0.850916  0.793495  0.360498  1
  Fe  Fe3  1  0.554229  0.682886  0.332324  1
  Fe  Fe4  1  0.900581  0.180304  0.361693  1
  Fe  Fe5  1  0.601507  0.063207  0.334046  1
  Fe  Fe6  1  0.302304  0.951712  0.305813  1
  Fe  Fe7  1  0.972713  0.527542  0.353779  1
  Fe  Fe8  1  0.674715  0.414704  0.326182  1
  Fe  Fe9  1  0.376361  0.305447  0.297335  1
  Fe  Fe10  1  0.144694  0.510476  0.349143  1
  Fe  Fe11  1  0.847524  0.397262  0.321187  1
  Fe  Fe12  1  0.554038  0.296969  0.293890  1
  Fe  Fe13  1  0.010119  0.238875  0.317075  1
  Fe  Fe14  1  0.607158  0.459916  0.372292  1
  Fe  Fe15  1  0.308806  0.348102  0.344498  1
  Fe  Fe16  1  0.089247  0.571013  0.302514  1
  Fe  Fe17  1  0.686615  0.785795  0.359102  1
  Fe  Fe18  1  0.387778  0.676300  0.331493  1
  Fe  Fe19  1  0.156096  0.890490  0.337395  1
  Fe  Fe20  1  0.859597  0.776292  0.309530  1
  Fe  Fe21  1  0.454106  0.004303  0.364791  1
  Fe  Fe22  1  0.065975  0.185395  0.362964  1
  Fe  Fe23  1  0.767293  0.072754  0.334112  1
  Fe  Fe24  1  0.467105  0.960071  0.305456  1
  Fe  Fe25  1  0.183096  0.220033  0.312767  1
  Fe  Fe26  1  0.779011  0.444986  0.368254  1
  Fe  Fe27  1  0.481334  0.330451  0.340311  1
  Fe  Fe28  1  0.000348  0.856544  0.329382  1
  Fe  Fe29  1  0.696103  0.767899  0.303819  1
  Fe  Fe30  1  0.298671  0.970325  0.356227  1
  Fe  Fe31  1  0.149353  0.908140  0.388180  1
  Fe  Fe32  1  0.744914  0.135973  0.443688  1
  Fe  Fe33  1  0.447342  0.022376  0.415857  1
  Fe  Fe34  1  0.794461  0.522351  0.444700  1
  Fe  Fe35  1  0.496719  0.407949  0.416768  1
  Fe  Fe36  1  0.198656  0.294447  0.389176  1
  Fe  Fe37  1  0.866630  0.870099  0.436927  1
  Fe  Fe38  1  0.568834  0.755569  0.409009  1
  Fe  Fe39  1  0.271055  0.642680  0.381212  1
  Fe  Fe40  1  0.039037  0.853747  0.432633  1
  Fe  Fe41  1  0.740990  0.739052  0.404823  1
  Fe  Fe42  1  0.442805  0.625524  0.376898  1
  Fe  Fe43  1  0.904804  0.576826  0.400463  1
  Fe  Fe44  1  0.500668  0.804659  0.455774  1
  Fe  Fe45  1  0.202866  0.690606  0.428012  1
  Fe  Fe46  1  0.984044  0.902428  0.386872  1
  Fe  Fe47  1  0.579881  0.130443  0.442338  1
  Fe  Fe48  1  0.282012  0.016623  0.414540  1
  Fe  Fe49  1  0.050293  0.232424  0.420746  1
  Fe  Fe50  1  0.752389  0.118063  0.392868  1
  Fe  Fe51  1  0.348036  0.346554  0.448384  1
  Fe  Fe52  1  0.959829  0.527810  0.446132  1
  Fe  Fe53  1  0.661531  0.413333  0.418141  1
  Fe  Fe54  1  0.363582  0.299962  0.390252  1
  Fe  Fe55  1  0.077263  0.560273  0.396123  1
  Fe  Fe56  1  0.672617  0.788016  0.451579  1
  Fe  Fe57  1  0.374993  0.674749  0.423791  1
  Fe  Fe58  1  0.893398  0.197546  0.412358  1
  Fe  Fe59  1  0.595711  0.081817  0.384266  1
  Fe  Fe60  1  0.191768  0.312123  0.439985  1
  Fe  Fe61  1  0.043015  0.250145  0.471528  1
  Fe  Fe62  1  0.638744  0.478503  0.526980  1
  Fe  Fe63  1  0.340853  0.364737  0.499300  1
  Fe  Fe64  1  0.688052  0.865145  0.527996  1
  Fe  Fe65  1  0.390214  0.750553  0.500224  1
  Fe  Fe66  1  0.092323  0.636787  0.472544  1
  Fe  Fe67  1  0.760442  0.212851  0.520113  1
  Fe  Fe68  1  0.462521  0.098220  0.492299  1
  Fe  Fe69  1  0.164732  0.984470  0.464612  1
  Fe  Fe70  1  0.932576  0.196303  0.515885  1
  Fe  Fe71  1  0.634582  0.081937  0.488105  1
  Fe  Fe72  1  0.336807  0.967997  0.460365  1
  Fe  Fe73  1  0.798491  0.918987  0.483639  1
  Fe  Fe74  1  0.394260  0.147293  0.539159  1
  Fe  Fe75  1  0.096486  0.033354  0.511419  1
  Fe  Fe76  1  0.877723  0.244849  0.470171  1
  Fe  Fe77  1  0.473445  0.472987  0.525686  1
  Fe  Fe78  1  0.175686  0.359150  0.497942  1
  Fe  Fe79  1  0.943911  0.575198  0.503974  1
  Fe  Fe80  1  0.645824  0.460758  0.476161  1
  Fe  Fe81  1  0.241738  0.689222  0.531773  1
  Fe  Fe82  1  0.853344  0.870442  0.529353  1
  Fe  Fe83  1  0.555381  0.756141  0.501582  1
  Fe  Fe84  1  0.257622  0.642303  0.473838  1
  Fe  Fe85  1  0.970625  0.902439  0.479411  1
  Fe  Fe86  1  0.566335  0.130820  0.534912  1
  Fe  Fe87  1  0.268546  0.017071  0.507225  1
  Fe  Fe88  1  0.787156  0.540092  0.495550  1
  Fe  Fe89  1  0.489330  0.426069  0.467752  1
  Fe  Fe90  1  0.085243  0.654532  0.523363  1
  Fe  Fe91  1  0.936607  0.592940  0.554825  1
  Fe  Fe92  1  0.532411  0.820844  0.610349  1
  Fe  Fe93  1  0.234348  0.707341  0.582756  1
  Fe  Fe94  1  0.581714  0.207151  0.611344  1
  Fe  Fe95  1  0.283725  0.092914  0.583667  1
  Fe  Fe96  1  0.986153  0.979317  0.555836  1
  Fe  Fe97  1  0.653804  0.555018  0.603401  1
  Fe  Fe98  1  0.356074  0.440542  0.575733  1
  Fe  Fe99  1  0.058450  0.327274  0.547945  1
  Fe  Fe100  1  0.826263  0.538465  0.599061  1
  Fe  Fe101  1  0.528201  0.424684  0.571512  1
  Fe  Fe102  1  0.230399  0.310632  0.543750  1
  Fe  Fe103  1  0.692030  0.261544  0.566891  1
  Fe  Fe104  1  0.288262  0.489766  0.622626  1
  Fe  Fe105  1  0.990077  0.376239  0.594701  1
  Fe  Fe106  1  0.771238  0.587480  0.553392  1
  Fe  Fe107  1  0.367485  0.815328  0.609272  1
  Fe  Fe108  1  0.069536  0.701957  0.581383  1
  Fe  Fe109  1  0.837669  0.917744  0.587166  1
  Fe  Fe110  1  0.539299  0.803168  0.559539  1
  Fe  Fe111  1  0.135356  0.033473  0.615258  1
  Fe  Fe112  1  0.747023  0.212862  0.612652  1
  Fe  Fe113  1  0.449055  0.098667  0.584984  1
  Fe  Fe114  1  0.151186  0.984847  0.557186  1
  Fe  Fe115  1  0.864437  0.245192  0.562598  1
  Fe  Fe116  1  0.460012  0.472611  0.618312  1
  Fe  Fe117  1  0.162233  0.359722  0.590515  1
  Fe  Fe118  1  0.680774  0.882867  0.578778  1
  Fe  Fe119  1  0.383031  0.768736  0.551140  1
  Fe  Fe120  1  0.978679  0.997227  0.606656  1
  Fe  Fe121  1  0.830486  0.934987  0.637831  1
  Fe  Fe122  1  0.428763  0.163579  0.693712  1
  Fe  Fe123  1  0.129561  0.052084  0.665478  1
  Fe  Fe124  1  0.477332  0.546696  0.694811  1
  Fe  Fe125  1  0.176838  0.432404  0.667200  1
  Fe  Fe126  1  0.880151  0.321795  0.639027  1
  Fe  Fe127  1  0.547971  0.895257  0.686757  1
  Fe  Fe128  1  0.249733  0.784839  0.659213  1
  Fe  Fe129  1  0.952056  0.670304  0.631270  1
  Fe  Fe130  1  0.720948  0.876415  0.682449  1
  Fe  Fe131  1  0.422261  0.767189  0.655027  1
  Fe  Fe132  1  0.123909  0.655375  0.627232  1
  Fe  Fe133  1  0.586373  0.604814  0.650381  1
  Fe  Fe134  1  0.177030  0.818321  0.705634  1
  Fe  Fe135  1  0.883543  0.718029  0.678337  1
  Fe  Fe136  1  0.665092  0.929896  0.636560  1
  Fe  Fe137  1  0.263962  0.155219  0.694068  1
  Fe  Fe138  1  0.963774  0.042536  0.665413  1
  Fe  Fe139  1  0.730719  0.258747  0.670142  1
  Fe  Fe140  1  0.432396  0.144965  0.643297  1
  Fe  Fe141  1  0.034964  0.347392  0.695705  1
  Fe  Fe142  1  0.641821  0.544278  0.697010  1
  Fe  Fe143  1  0.343289  0.438990  0.668031  1
  Fe  Fe144  1  0.044452  0.329496  0.640422  1
  Fe  Fe145  1  0.758355  0.587749  0.645745  1
  Fe  Fe146  1  0.354706  0.809844  0.702189  1
  Fe  Fe147  1  0.056353  0.700586  0.673342  1
  Fe  Fe148  1  0.574971  0.224801  0.662130  1
  Fe  Fe149  1  0.276961  0.110987  0.634733  1
  Fe  Fe150  1  0.871470  0.338998  0.689994  1
  C  C151  1  0.068174  0.753576  0.362504  1
  C  C152  1  0.770767  0.640380  0.334429  1
  C  C153  1  0.471776  0.528450  0.307014  1
  C  C154  1  0.193094  0.189752  0.351834  1
  C  C155  1  0.895725  0.074395  0.324403  1
  C  C156  1  0.595934  0.970370  0.296272  1
  C  C157  1  0.963262  0.558193  0.314704  1
  C  C158  1  0.559138  0.781939  0.369894  1
  C  C159  1  0.260201  0.670851  0.342140  1
  C  C160  1  0.087116  0.995439  0.304073  1
  C  C161  1  0.684483  0.217046  0.359282  1
  C  C162  1  0.385735  0.106994  0.330819  1
  C  C163  1  0.961875  0.096407  0.445775  1
  C  C164  1  0.663933  0.982174  0.417895  1
  C  C165  1  0.366200  0.869276  0.390056  1
  C  C166  1  0.087165  0.531716  0.435213  1
  C  C167  1  0.788993  0.417487  0.407360  1
  C  C168  1  0.490990  0.303059  0.379427  1
  C  C169  1  0.856756  0.898274  0.397833  1
  C  C170  1  0.452512  0.126995  0.453211  1
  C  C171  1  0.154741  0.012921  0.425522  1
  C  C172  1  0.981940  0.333873  0.387391  1
  C  C173  1  0.577565  0.561479  0.442624  1
  C  C174  1  0.280029  0.447873  0.414886  1
  C  C175  1  0.855575  0.439267  0.529033  1
  C  C176  1  0.557537  0.324863  0.501240  1
  C  C177  1  0.259830  0.211014  0.473513  1
  C  C178  1  0.980737  0.874323  0.518502  1
  C  C179  1  0.682720  0.759898  0.490671  1
  C  C180  1  0.384912  0.645746  0.462879  1
  C  C181  1  0.750330  0.240968  0.481022  1
  C  C182  1  0.346156  0.469545  0.536645  1
  C  C183  1  0.048347  0.355392  0.508853  1
  C  C184  1  0.875492  0.676024  0.470491  1
  C  C185  1  0.471238  0.904277  0.526011  1
  C  C186  1  0.173530  0.790428  0.498285  1
  C  C187  1  0.749127  0.781417  0.612134  1
  C  C188  1  0.451038  0.667418  0.584638  1
  C  C189  1  0.153502  0.553812  0.556900  1
  C  C190  1  0.874311  0.217016  0.601691  1
  C  C191  1  0.576327  0.102370  0.574002  1
  C  C192  1  0.278555  0.988295  0.546313  1
  C  C193  1  0.643902  0.583574  0.564311  1
  C  C194  1  0.240077  0.812232  0.620097  1
  C  C195  1  0.942074  0.697804  0.592165  1
  C  C196  1  0.769193  0.018883  0.553750  1
  C  C197  1  0.364868  0.246014  0.609468  1
  C  C198  1  0.067134  0.133117  0.581629  1
  C  C199  1  0.643951  0.119852  0.695451  1
  C  C200  1  0.345332  0.008296  0.668705  1
  C  C201  1  0.046585  0.898244  0.640242  1
  C  C202  1  0.767805  0.557097  0.684820  1
  C  C203  1  0.470867  0.444439  0.657384  1
  C  C204  1  0.171929  0.333352  0.629630  1
  C  C205  1  0.537973  0.925539  0.647690  1
  C  C206  1  0.135133  0.144921  0.703252  1
  C  C207  1  0.835342  0.040896  0.675121  1
  C  C208  1  0.662893  0.361715  0.637020  1
  C  C209  1  0.259292  0.586841  0.692510  1
  C  C210  1  0.960300  0.474911  0.665095  1
