# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74764388
_cell_length_b   15.50859291
_cell_length_c   49.68234743
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.81877813
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe180 C72'
_cell_volume   4412.92524134
_cell_formula_units_Z   36
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  0.087763  0.962540  0.278761  1
  Fe  Fe2  1  0.376792  0.737093  0.330997  1
  Fe  Fe3  1  0.733258  0.349566  0.304993  1
  Fe  Fe4  1  0.442355  0.297370  0.334671  1
  Fe  Fe5  1  0.793993  0.911833  0.309021  1
  Fe  Fe6  1  0.151649  0.526067  0.282880  1
  Fe  Fe7  1  0.181357  0.120157  0.283657  1
  Fe  Fe8  1  0.466473  0.890421  0.334796  1
  Fe  Fe9  1  0.824533  0.503706  0.309255  1
  Fe  Fe10  1  0.083788  0.246667  0.311072  1
  Fe  Fe11  1  0.436428  0.861838  0.285096  1
  Fe  Fe12  1  0.727512  0.632458  0.336430  1
  Fe  Fe13  1  0.443509  0.016550  0.303609  1
  Fe  Fe14  1  0.804255  0.631098  0.277960  1
  Fe  Fe15  1  0.093984  0.401883  0.328596  1
  Fe  Fe16  1  0.097017  0.009071  0.325775  1
  Fe  Fe17  1  0.453746  0.624424  0.299832  1
  Fe  Fe18  1  0.807401  0.234182  0.273829  1
  Fe  Fe19  1  0.739021  0.178127  0.324800  1
  Fe  Fe20  1  0.088360  0.791229  0.298781  1
  Fe  Fe21  1  0.471812  0.405191  0.274404  1
  Fe  Fe22  1  0.415606  0.250922  0.287449  1
  Fe  Fe23  1  0.721003  0.024898  0.339723  1
  Fe  Fe24  1  0.074945  0.639652  0.314180  1
  Fe  Fe25  1  0.350946  0.144519  0.330773  1
  Fe  Fe26  1  0.702216  0.759057  0.305466  1
  Fe  Fe27  1  0.061721  0.372399  0.279367  1
  Fe  Fe28  1  0.788786  0.083241  0.289823  1
  Fe  Fe29  1  0.080374  0.856164  0.340794  1
  Fe  Fe30  1  0.436385  0.470611  0.314984  1
  Fe  Fe31  1  0.024693  0.122383  0.356320  1
  Fe  Fe32  1  0.316639  0.894115  0.407794  1
  Fe  Fe33  1  0.670977  0.508289  0.382007  1
  Fe  Fe34  1  0.379303  0.454627  0.411516  1
  Fe  Fe35  1  0.732798  0.068627  0.385950  1
  Fe  Fe36  1  0.086018  0.682528  0.360248  1
  Fe  Fe37  1  0.115343  0.275344  0.360419  1
  Fe  Fe38  1  0.406134  0.047056  0.411651  1
  Fe  Fe39  1  0.759898  0.660938  0.386023  1
  Fe  Fe40  1  0.020137  0.403828  0.387548  1
  Fe  Fe41  1  0.372934  0.018029  0.361899  1
  Fe  Fe42  1  0.665731  0.789500  0.413215  1
  Fe  Fe43  1  0.384036  0.173350  0.380432  1
  Fe  Fe44  1  0.736616  0.787513  0.354892  1
  Fe  Fe45  1  0.030464  0.558696  0.405970  1
  Fe  Fe46  1  0.036731  0.166492  0.402723  1
  Fe  Fe47  1  0.389978  0.780750  0.377067  1
  Fe  Fe48  1  0.744963  0.395173  0.351441  1
  Fe  Fe49  1  0.677133  0.335210  0.401618  1
  Fe  Fe50  1  0.029477  0.949509  0.375989  1
  Fe  Fe51  1  0.383883  0.563563  0.350223  1
  Fe  Fe52  1  0.366380  0.410328  0.365077  1
  Fe  Fe53  1  0.659671  0.181959  0.416576  1
  Fe  Fe54  1  0.012606  0.796094  0.390983  1
  Fe  Fe55  1  0.290209  0.301644  0.407609  1
  Fe  Fe56  1  0.643169  0.915790  0.382005  1
  Fe  Fe57  1  0.999106  0.529669  0.355931  1
  Fe  Fe58  1  0.727682  0.241730  0.366487  1
  Fe  Fe59  1  0.019740  0.013356  0.417650  1
  Fe  Fe60  1  0.373001  0.627257  0.392088  1
  Fe  Fe61  1  0.963790  0.279817  0.433322  1
  Fe  Fe62  1  0.256540  0.051314  0.484646  1
  Fe  Fe63  1  0.609910  0.665432  0.458992  1
  Fe  Fe64  1  0.318647  0.611685  0.488480  1
  Fe  Fe65  1  0.672334  0.225984  0.462835  1
  Fe  Fe66  1  0.025556  0.840075  0.437197  1
  Fe  Fe67  1  0.052896  0.432680  0.437273  1
  Fe  Fe68  1  0.345897  0.204215  0.488556  1
  Fe  Fe69  1  0.699378  0.818283  0.462930  1
  Fe  Fe70  1  0.958930  0.561057  0.464463  1
  Fe  Fe71  1  0.312455  0.175308  0.438819  1
  Fe  Fe72  1  0.605563  0.946778  0.490121  1
  Fe  Fe73  1  0.323384  0.330466  0.457342  1
  Fe  Fe74  1  0.676517  0.944650  0.431744  1
  Fe  Fe75  1  0.969829  0.716127  0.482990  1
  Fe  Fe76  1  0.976621  0.323823  0.479657  1
  Fe  Fe77  1  0.329892  0.938065  0.454008  1
  Fe  Fe78  1  0.683807  0.552284  0.428362  1
  Fe  Fe79  1  0.616033  0.492422  0.478500  1
  Fe  Fe80  1  0.969357  0.106740  0.452874  1
  Fe  Fe81  1  0.322787  0.720850  0.427227  1
  Fe  Fe82  1  0.305455  0.567626  0.442110  1
  Fe  Fe83  1  0.598836  0.339203  0.493447  1
  Fe  Fe84  1  0.952266  0.953386  0.467832  1
  Fe  Fe85  1  0.229695  0.458855  0.484515  1
  Fe  Fe86  1  0.582770  0.073122  0.458929  1
  Fe  Fe87  1  0.936362  0.687250  0.433244  1
  Fe  Fe88  1  0.666509  0.399165  0.443257  1
  Fe  Fe89  1  0.959447  0.170583  0.494580  1
  Fe  Fe90  1  0.312749  0.784668  0.468978  1
  Fe  Fe91  1  0.903310  0.437064  0.510266  1
  Fe  Fe92  1  0.196402  0.208675  0.561548  1
  Fe  Fe93  1  0.549624  0.822765  0.535911  1
  Fe  Fe94  1  0.258167  0.768933  0.565424  1
  Fe  Fe95  1  0.612047  0.383317  0.539754  1
  Fe  Fe96  1  0.965418  0.997435  0.514100  1
  Fe  Fe97  1  0.992262  0.589894  0.514230  1
  Fe  Fe98  1  0.285596  0.361499  0.565502  1
  Fe  Fe99  1  0.639187  0.975628  0.539817  1
  Fe  Fe100  1  0.898573  0.718284  0.541404  1
  Fe  Fe101  1  0.252129  0.332622  0.515756  1
  Fe  Fe102  1  0.545440  0.104099  0.567002  1
  Fe  Fe103  1  0.263027  0.487692  0.534283  1
  Fe  Fe104  1  0.616394  0.101971  0.508625  1
  Fe  Fe105  1  0.909503  0.873441  0.559926  1
  Fe  Fe106  1  0.916503  0.481124  0.556635  1
  Fe  Fe107  1  0.269691  0.095364  0.530914  1
  Fe  Fe108  1  0.623121  0.709547  0.505299  1
  Fe  Fe109  1  0.555449  0.649585  0.555488  1
  Fe  Fe110  1  0.909208  0.264081  0.529768  1
  Fe  Fe111  1  0.262510  0.878167  0.504166  1
  Fe  Fe112  1  0.245336  0.724927  0.519089  1
  Fe  Fe113  1  0.538150  0.496465  0.570384  1
  Fe  Fe114  1  0.892066  0.110684  0.544738  1
  Fe  Fe115  1  0.169061  0.616069  0.561473  1
  Fe  Fe116  1  0.522580  0.230466  0.535816  1
  Fe  Fe117  1  0.876060  0.844534  0.510190  1
  Fe  Fe118  1  0.605924  0.556327  0.520245  1
  Fe  Fe119  1  0.899171  0.327899  0.571518  1
  Fe  Fe120  1  0.252600  0.942009  0.545871  1
  Fe  Fe121  1  0.842655  0.594122  0.587230  1
  Fe  Fe122  1  0.135939  0.366221  0.638497  1
  Fe  Fe123  1  0.489159  0.980123  0.612795  1
  Fe  Fe124  1  0.197265  0.926366  0.642426  1
  Fe  Fe125  1  0.550980  0.540460  0.616739  1
  Fe  Fe126  1  0.905318  0.154634  0.590952  1
  Fe  Fe127  1  0.931749  0.747105  0.591136  1
  Fe  Fe128  1  0.222851  0.519081  0.642815  1
  Fe  Fe129  1  0.578789  0.132960  0.616741  1
  Fe  Fe130  1  0.837921  0.875400  0.618314  1
  Fe  Fe131  1  0.191494  0.490053  0.592776  1
  Fe  Fe132  1  0.485342  0.261237  0.643854  1
  Fe  Fe133  1  0.201820  0.644921  0.611198  1
  Fe  Fe134  1  0.556226  0.259249  0.585530  1
  Fe  Fe135  1  0.849023  0.030720  0.636847  1
  Fe  Fe136  1  0.855577  0.638421  0.633668  1
  Fe  Fe137  1  0.209351  0.252655  0.607763  1
  Fe  Fe138  1  0.562287  0.866791  0.582170  1
  Fe  Fe139  1  0.494276  0.807020  0.632259  1
  Fe  Fe140  1  0.848957  0.421493  0.606657  1
  Fe  Fe141  1  0.202218  0.035394  0.581096  1
  Fe  Fe142  1  0.185226  0.882258  0.596022  1
  Fe  Fe143  1  0.476994  0.653577  0.647305  1
  Fe  Fe144  1  0.831979  0.267999  0.621679  1
  Fe  Fe145  1  0.106615  0.773405  0.638326  1
  Fe  Fe146  1  0.462059  0.387812  0.612723  1
  Fe  Fe147  1  0.815823  1.001694  0.587095  1
  Fe  Fe148  1  0.544824  0.713539  0.597127  1
  Fe  Fe149  1  0.838074  0.485186  0.648523  1
  Fe  Fe150  1  0.192481  0.099241  0.622757  1
  Fe  Fe151  1  0.779603  0.751379  0.664075  1
  Fe  Fe152  1  0.070309  0.522683  0.715866  1
  Fe  Fe153  1  0.427965  0.136916  0.689725  1
  Fe  Fe154  1  0.134194  0.086209  0.719984  1
  Fe  Fe155  1  0.488699  0.699183  0.693753  1
  Fe  Fe156  1  0.845166  0.311656  0.667749  1
  Fe  Fe157  1  0.871011  0.904230  0.667973  1
  Fe  Fe158  1  0.160237  0.676351  0.719379  1
  Fe  Fe159  1  0.519742  0.289692  0.693280  1
  Fe  Fe160  1  0.778448  0.032200  0.695137  1
  Fe  Fe161  1  0.127973  0.646867  0.670149  1
  Fe  Fe162  1  0.417703  0.417651  0.720786  1
  Fe  Fe163  1  0.138169  0.802083  0.687673  1
  Fe  Fe164  1  0.494445  0.416292  0.662316  1
  Fe  Fe165  1  0.785529  0.186912  0.713650  1
  Fe  Fe166  1  0.806352  0.797827  0.711296  1
  Fe  Fe167  1  0.147012  0.409098  0.684566  1
  Fe  Fe168  1  0.500954  0.023852  0.659022  1
  Fe  Fe169  1  0.433171  0.965508  0.708923  1
  Fe  Fe170  1  0.785573  0.578138  0.683762  1
  Fe  Fe171  1  0.141583  0.192585  0.657951  1
  Fe  Fe172  1  0.124940  0.039678  0.672971  1
  Fe  Fe173  1  0.414556  0.814568  0.724917  1
  Fe  Fe174  1  0.768212  0.424326  0.698913  1
  Fe  Fe175  1  0.040600  0.928593  0.715089  1
  Fe  Fe176  1  0.397424  0.545043  0.689490  1
  Fe  Fe177  1  0.755484  0.158328  0.663950  1
  Fe  Fe178  1  0.482937  0.870622  0.673945  1
  Fe  Fe179  1  0.750145  0.643559  0.724342  1
  Fe  Fe180  1  0.133597  0.257520  0.699964  1
  C  C181  1  0.022731  0.124715  0.317628  1
  C  C182  1  0.376650  0.740192  0.292325  1
  C  C183  1  0.668777  0.510618  0.343323  1
  C  C184  1  0.653400  0.966495  0.279129  1
  C  C185  1  0.946747  0.737763  0.330369  1
  C  C186  1  0.305388  0.351279  0.304395  1
  C  C187  1  0.872402  0.296799  0.335322  1
  C  C188  1  0.224034  0.910838  0.309506  1
  C  C189  1  0.583517  0.526040  0.284011  1
  C  C190  1  0.507018  0.138235  0.296695  1
  C  C191  1  0.851590  0.753186  0.270981  1
  C  C192  1  0.151289  0.523729  0.321585  1
  C  C193  1  0.961638  0.282102  0.394634  1
  C  C194  1  0.314120  0.896381  0.369111  1
  C  C195  1  0.607440  0.667768  0.420306  1
  C  C196  1  0.593498  0.123124  0.355934  1
  C  C197  1  0.885544  0.894418  0.407196  1
  C  C198  1  0.239456  0.508484  0.381408  1
  C  C199  1  0.810830  0.454116  0.412048  1
  C  C200  1  0.163876  0.068316  0.386431  1
  C  C201  1  0.517111  0.682351  0.360894  1
  C  C202  1  0.443338  0.295064  0.373358  1
  C  C203  1  0.795605  0.909163  0.347711  1
  C  C204  1  0.088415  0.680467  0.398933  1
  C  C205  1  0.900681  0.439341  0.471578  1
  C  C206  1  0.253942  0.053612  0.445960  1
  C  C207  1  0.547089  0.825061  0.497225  1
  C  C208  1  0.532510  0.280237  0.432805  1
  C  C209  1  0.825368  0.051681  0.484083  1
  C  C210  1  0.178683  0.665823  0.458436  1
  C  C211  1  0.750006  0.611286  0.489025  1
  C  C212  1  0.103510  0.225592  0.463366  1
  C  C213  1  0.456805  0.839738  0.437775  1
  C  C214  1  0.381780  0.452165  0.450203  1
  C  C215  1  0.735086  0.066360  0.424635  1
  C  C216  1  0.028223  0.837846  0.475883  1
  C  C217  1  0.840177  0.596585  0.548543  1
  C  C218  1  0.193735  0.210903  0.522862  1
  C  C219  1  0.486872  0.982389  0.574111  1
  C  C220  1  0.471952  0.437464  0.509721  1
  C  C221  1  0.765153  0.209011  0.560971  1
  C  C222  1  0.118447  0.823157  0.535380  1
  C  C223  1  0.689448  0.768513  0.565941  1
  C  C224  1  0.043275  0.382927  0.540310  1
  C  C225  1  0.396590  0.997068  0.514662  1
  C  C226  1  0.321276  0.609408  0.527167  1
  C  C227  1  0.674869  0.223689  0.501520  1
  C  C228  1  0.968016  0.995138  0.552785  1
  C  C229  1  0.778620  0.753685  0.625388  1
  C  C230  1  0.133542  0.368282  0.599813  1
  C  C231  1  0.426352  0.139586  0.651035  1
  C  C232  1  0.411127  0.594633  0.586697  1
  C  C233  1  0.704846  0.366398  0.637851  1
  C  C234  1  0.058081  0.980433  0.612314  1
  C  C235  1  0.628459  0.925625  0.642812  1
  C  C236  1  0.982502  0.540265  0.617337  1
  C  C237  1  0.336414  0.154332  0.591549  1
  C  C238  1  0.260319  0.766648  0.604111  1
  C  C239  1  0.614518  0.380981  0.578439  1
  C  C240  1  0.907837  0.152368  0.629634  1
  C  C241  1  0.714940  0.910515  0.702051  1
  C  C242  1  0.070669  0.525020  0.677160  1
  C  C243  1  0.370367  0.295563  0.727765  1
  C  C244  1  0.349555  0.751950  0.663423  1
  C  C245  1  0.638440  0.522710  0.714735  1
  C  C246  1  0.997923  0.137912  0.689240  1
  C  C247  1  0.568557  0.082255  0.719617  1
  C  C248  1  0.916569  0.697471  0.694351  1
  C  C249  1  0.275211  0.310987  0.668376  1
  C  C250  1  0.199227  0.924034  0.681117  1
  C  C251  1  0.553181  0.538131  0.655422  1
  C  C252  1  0.845307  0.308557  0.706421  1
