# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74713244
_cell_length_b   14.17600237
_cell_length_c   46.35003149
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.46415986
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe150 C60'
_cell_volume   3734.37207035
_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  0.853514  0.335082  0.345878  1
  Fe  Fe2  1  0.646157  0.640172  0.315749  1
  Fe  Fe3  1  0.428513  0.946400  0.284148  1
  Fe  Fe4  1  0.931966  0.620389  0.351382  1
  Fe  Fe5  1  0.721664  0.928503  0.321101  1
  Fe  Fe6  1  0.507414  0.235560  0.290183  1
  Fe  Fe7  1  0.629393  0.501141  0.286939  1
  Fe  Fe8  1  0.060775  0.888046  0.346733  1
  Fe  Fe9  1  0.847134  0.196221  0.317117  1
  Fe  Fe10  1  0.823940  0.333102  0.281487  1
  Fe  Fe11  1  0.245816  0.717749  0.342034  1
  Fe  Fe12  1  0.035411  0.024629  0.311850  1
  Fe  Fe13  1  0.330935  0.543610  0.325360  1
  Fe  Fe14  1  0.117758  0.849594  0.294004  1
  Fe  Fe15  1  0.541719  0.236144  0.354533  1
  Fe  Fe16  1  0.693917  0.499343  0.344628  1
  Fe  Fe17  1  0.488380  0.806201  0.314824  1
  Fe  Fe18  1  0.268141  0.114195  0.283528  1
  Fe  Fe19  1  0.143967  0.358648  0.308012  1
  Fe  Fe20  1  0.931345  0.667871  0.277913  1
  Fe  Fe21  1  0.353046  0.051380  0.337867  1
  Fe  Fe22  1  0.090912  0.454709  0.352855  1
  Fe  Fe23  1  0.884344  0.762265  0.322161  1
  Fe  Fe24  1  0.682708  0.072519  0.291374  1
  Fe  Fe25  1  0.519902  0.372763  0.320208  1
  Fe  Fe26  1  0.310721  0.676905  0.289252  1
  Fe  Fe27  1  0.723378  0.067607  0.349861  1
  Fe  Fe28  1  0.015393  0.516974  0.299195  1
  Fe  Fe29  1  0.433991  0.902762  0.358567  1
  Fe  Fe30  1  0.222106  0.210263  0.328774  1
  Fe  Fe31  1  0.479812  0.412626  0.436726  1
  Fe  Fe32  1  0.271168  0.720243  0.406441  1
  Fe  Fe33  1  0.061828  0.026483  0.375906  1
  Fe  Fe34  1  0.557912  0.699371  0.442211  1
  Fe  Fe35  1  0.349167  0.006132  0.411765  1
  Fe  Fe36  1  0.139810  0.313465  0.381716  1
  Fe  Fe37  1  0.266958  0.581173  0.377403  1
  Fe  Fe38  1  0.685033  0.966733  0.437708  1
  Fe  Fe39  1  0.476139  0.273835  0.407527  1
  Fe  Fe40  1  0.452806  0.410397  0.372633  1
  Fe  Fe41  1  0.870416  0.796504  0.433095  1
  Fe  Fe42  1  0.661185  0.103439  0.402747  1
  Fe  Fe43  1  0.958511  0.622865  0.415600  1
  Fe  Fe44  1  0.749541  0.930049  0.385084  1
  Fe  Fe45  1  0.166928  0.315585  0.445777  1
  Fe  Fe46  1  0.319898  0.578180  0.435438  1
  Fe  Fe47  1  0.111178  0.885129  0.404962  1
  Fe  Fe48  1  0.903353  0.192147  0.374755  1
  Fe  Fe49  1  0.770372  0.437164  0.398714  1
  Fe  Fe50  1  0.562575  0.744636  0.368379  1
  Fe  Fe51  1  0.979138  0.130013  0.428932  1
  Fe  Fe52  1  0.717490  0.534031  0.443596  1
  Fe  Fe53  1  0.509040  0.841268  0.413114  1
  Fe  Fe54  1  0.300020  0.148153  0.382875  1
  Fe  Fe55  1  0.143894  0.452211  0.410830  1
  Fe  Fe56  1  0.935725  0.759263  0.380492  1
  Fe  Fe57  1  0.352588  0.145006  0.441101  1
  Fe  Fe58  1  0.640810  0.596060  0.389565  1
  Fe  Fe59  1  0.058043  0.981905  0.449788  1
  Fe  Fe60  1  0.849603  0.288837  0.419615  1
  Fe  Fe61  1  0.105664  0.491688  0.527574  1
  Fe  Fe62  1  0.896680  0.798966  0.497304  1
  Fe  Fe63  1  0.688165  0.105665  0.466988  1
  Fe  Fe64  1  0.183469  0.778344  0.533114  1
  Fe  Fe65  1  0.974954  0.085043  0.502798  1
  Fe  Fe66  1  0.765970  0.392321  0.472528  1
  Fe  Fe67  1  0.893594  0.659999  0.468134  1
  Fe  Fe68  1  0.310829  0.045604  0.528728  1
  Fe  Fe69  1  0.101777  0.352827  0.498428  1
  Fe  Fe70  1  0.078977  0.489405  0.463447  1
  Fe  Fe71  1  0.495973  0.875422  0.524083  1
  Fe  Fe72  1  0.287191  0.182229  0.493684  1
  Fe  Fe73  1  0.584443  0.701780  0.506418  1
  Fe  Fe74  1  0.375660  0.008587  0.476019  1
  Fe  Fe75  1  0.792656  0.394604  0.536655  1
  Fe  Fe76  1  0.945833  0.657154  0.526265  1
  Fe  Fe77  1  0.737103  0.964009  0.495970  1
  Fe  Fe78  1  0.528427  0.270988  0.465614  1
  Fe  Fe79  1  0.396403  0.516175  0.489554  1
  Fe  Fe80  1  0.187814  0.823301  0.459281  1
  Fe  Fe81  1  0.604792  0.209020  0.519836  1
  Fe  Fe82  1  0.343206  0.613021  0.534488  1
  Fe  Fe83  1  0.134531  0.920000  0.504132  1
  Fe  Fe84  1  0.925801  0.226855  0.473837  1
  Fe  Fe85  1  0.769857  0.531182  0.501674  1
  Fe  Fe86  1  0.560804  0.838405  0.471375  1
  Fe  Fe87  1  0.978039  0.224010  0.531969  1
  Fe  Fe88  1  0.266841  0.674988  0.480266  1
  Fe  Fe89  1  0.683819  0.060708  0.540822  1
  Fe  Fe90  1  0.475231  0.367834  0.510548  1
  Fe  Fe91  1  0.731823  0.570543  0.618386  1
  Fe  Fe92  1  0.522467  0.877877  0.588338  1
  Fe  Fe93  1  0.313721  0.184637  0.557891  1
  Fe  Fe94  1  0.809806  0.857526  0.624197  1
  Fe  Fe95  1  0.600465  0.163765  0.593661  1
  Fe  Fe96  1  0.391822  0.471383  0.563376  1
  Fe  Fe97  1  0.519045  0.739003  0.559001  1
  Fe  Fe98  1  0.935909  0.124746  0.619610  1
  Fe  Fe99  1  0.727739  0.431798  0.589272  1
  Fe  Fe100  1  0.704706  0.568424  0.554325  1
  Fe  Fe101  1  0.122092  0.953960  0.615019  1
  Fe  Fe102  1  0.913122  0.261144  0.584502  1
  Fe  Fe103  1  0.210449  0.780570  0.597355  1
  Fe  Fe104  1  0.001217  0.087504  0.567008  1
  Fe  Fe105  1  0.418827  0.473612  0.627469  1
  Fe  Fe106  1  0.571613  0.735856  0.617227  1
  Fe  Fe107  1  0.362594  0.042741  0.586988  1
  Fe  Fe108  1  0.154144  0.349978  0.556506  1
  Fe  Fe109  1  0.022031  0.595172  0.580487  1
  Fe  Fe110  1  0.813591  0.902104  0.550315  1
  Fe  Fe111  1  0.230824  0.287948  0.610538  1
  Fe  Fe112  1  0.968280  0.691862  0.625347  1
  Fe  Fe113  1  0.760456  0.998880  0.595140  1
  Fe  Fe114  1  0.551736  0.305829  0.564664  1
  Fe  Fe115  1  0.395495  0.610173  0.592575  1
  Fe  Fe116  1  0.186600  0.917276  0.562394  1
  Fe  Fe117  1  0.604676  0.302836  0.622699  1
  Fe  Fe118  1  0.892496  0.753996  0.571170  1
  Fe  Fe119  1  0.309058  0.139373  0.631723  1
  Fe  Fe120  1  0.101262  0.446845  0.601389  1
  Fe  Fe121  1  0.364219  0.648449  0.709919  1
  Fe  Fe122  1  0.149969  0.955506  0.679002  1
  Fe  Fe123  1  0.939668  0.263620  0.648721  1
  Fe  Fe124  1  0.443120  0.937609  0.715954  1
  Fe  Fe125  1  0.225476  0.243836  0.684354  1
  Fe  Fe126  1  0.018120  0.548927  0.654224  1
  Fe  Fe127  1  0.148256  0.816401  0.650242  1
  Fe  Fe128  1  0.560912  0.207103  0.710850  1
  Fe  Fe129  1  0.351731  0.511246  0.679894  1
  Fe  Fe130  1  0.329915  0.647865  0.645569  1
  Fe  Fe131  1  0.753876  0.034415  0.706098  1
  Fe  Fe132  1  0.540698  0.340399  0.674742  1
  Fe  Fe133  1  0.836222  0.859380  0.688253  1
  Fe  Fe134  1  0.625818  0.166260  0.658068  1
  Fe  Fe135  1  0.047694  0.550907  0.718615  1
  Fe  Fe136  1  0.188926  0.811490  0.708729  1
  Fe  Fe137  1  0.987289  0.121743  0.677941  1
  Fe  Fe138  1  0.780721  0.429300  0.647247  1
  Fe  Fe139  1  0.649528  0.673746  0.671328  1
  Fe  Fe140  1  0.437643  0.981246  0.641535  1
  Fe  Fe141  1  0.856240  0.367035  0.700907  1
  Fe  Fe142  1  0.603493  0.769814  0.716575  1
  Fe  Fe143  1  0.383253  0.077808  0.685278  1
  Fe  Fe144  1  0.177717  0.384665  0.655474  1
  Fe  Fe145  1  0.024500  0.687788  0.682985  1
  Fe  Fe146  1  0.810858  0.995963  0.653369  1
  Fe  Fe147  1  0.242240  0.382867  0.713164  1
  Fe  Fe148  1  0.518587  0.832629  0.662236  1
  Fe  Fe149  1  0.940288  0.216138  0.722190  1
  Fe  Fe150  1  0.727667  0.525361  0.692090  1
  C  C151  1  0.825330  0.419999  0.313296  1
  C  C152  1  0.610215  0.725599  0.283321  1
  C  C153  1  0.034267  0.112166  0.343533  1
  C  C154  1  0.285071  0.334700  0.345419  1
  C  C155  1  0.076303  0.641530  0.315011  1
  C  C156  1  0.864971  0.949485  0.284663  1
  C  C157  1  0.500652  0.619534  0.352078  1
  C  C158  1  0.292576  0.926535  0.321145  1
  C  C159  1  0.078599  0.234779  0.291508  1
  C  C160  1  0.334224  0.456358  0.293560  1
  C  C161  1  0.753767  0.842413  0.353385  1
  C  C162  1  0.540399  0.149783  0.322569  1
  C  C163  1  0.451588  0.498055  0.404286  1
  C  C164  1  0.243163  0.804975  0.373829  1
  C  C165  1  0.660240  0.190802  0.434477  1
  C  C166  1  0.910614  0.413758  0.436202  1
  C  C167  1  0.702381  0.720935  0.405881  1
  C  C168  1  0.492755  0.027865  0.375387  1
  C  C169  1  0.126853  0.698513  0.442769  1
  C  C170  1  0.917819  0.005391  0.412300  1
  C  C171  1  0.709326  0.312218  0.382127  1
  C  C172  1  0.959629  0.535336  0.383915  1
  C  C173  1  0.377031  0.921121  0.444311  1
  C  C174  1  0.168459  0.227908  0.414122  1
  C  C175  1  0.077571  0.577031  0.495113  1
  C  C176  1  0.868834  0.884060  0.464780  1
  C  C177  1  0.285839  0.269756  0.525374  1
  C  C178  1  0.536503  0.492812  0.527051  1
  C  C179  1  0.327920  0.799767  0.496772  1
  C  C180  1  0.119016  0.106603  0.466440  1
  C  C181  1  0.752618  0.777406  0.533662  1
  C  C182  1  0.543714  0.084242  0.503330  1
  C  C183  1  0.335130  0.391197  0.473051  1
  C  C184  1  0.585795  0.614253  0.474728  1
  C  C185  1  0.002800  0.999949  0.535323  1
  C  C186  1  0.794063  0.306978  0.504989  1
  C  C187  1  0.703174  0.656101  0.585980  1
  C  C188  1  0.494602  0.962888  0.555791  1
  C  C189  1  0.912004  0.348673  0.616187  1
  C  C190  1  0.162308  0.571791  0.617975  1
  C  C191  1  0.953815  0.878618  0.587803  1
  C  C192  1  0.744781  0.185496  0.557334  1
  C  C193  1  0.378878  0.856144  0.624715  1
  C  C194  1  0.169253  0.163074  0.594222  1
  C  C195  1  0.961019  0.470251  0.563901  1
  C  C196  1  0.211394  0.693206  0.565625  1
  C  C197  1  0.628471  0.079034  0.626274  1
  C  C198  1  0.420046  0.385954  0.595816  1
  C  C199  1  0.331235  0.734226  0.677533  1
  C  C200  1  0.117866  0.041595  0.646718  1
  C  C201  1  0.537409  0.427651  0.706543  1
  C  C202  1  0.793034  0.649229  0.708594  1
  C  C203  1  0.579057  0.957474  0.678957  1
  C  C204  1  0.370981  0.264475  0.648025  1
  C  C205  1  0.006663  0.934524  0.715439  1
  C  C206  1  0.795330  0.242479  0.685091  1
  C  C207  1  0.586563  0.549309  0.654683  1
  C  C208  1  0.837367  0.771843  0.656570  1
  C  C209  1  0.261418  0.158410  0.716782  1
  C  C210  1  0.046303  0.464010  0.686806  1
