# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56297629
_cell_length_b   15.85649627
_cell_length_c   52.04929506
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.46288928
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe150 C60'
_cell_volume   3734.01278116
_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  0.997246  0.710687  0.276827  1
  Fe  Fe2  1  0.006980  0.410006  0.337369  1
  Fe  Fe3  1  0.004934  0.061702  0.306987  1
  Fe  Fe4  1  0.164180  0.627845  0.359521  1
  Fe  Fe5  1  0.162410  0.279278  0.329448  1
  Fe  Fe6  1  0.147308  0.929249  0.299064  1
  Fe  Fe7  1  0.341270  0.804511  0.301695  1
  Fe  Fe8  1  0.351114  0.502106  0.362292  1
  Fe  Fe9  1  0.348300  0.153137  0.332035  1
  Fe  Fe10  1  0.844016  0.815077  0.321634  1
  Fe  Fe11  1  0.837664  0.466376  0.291056  1
  Fe  Fe12  1  0.851750  0.163189  0.351755  1
  Fe  Fe13  1  0.312702  0.526162  0.314599  1
  Fe  Fe14  1  0.317357  0.177559  0.284020  1
  Fe  Fe15  1  0.323579  0.874523  0.345123  1
  Fe  Fe16  1  0.512712  0.751982  0.353793  1
  Fe  Fe17  1  0.506345  0.403427  0.323370  1
  Fe  Fe18  1  0.508589  0.055848  0.292657  1
  Fe  Fe19  1  0.829965  0.672081  0.321231  1
  Fe  Fe20  1  0.828516  0.321623  0.292128  1
  Fe  Fe21  1  0.838105  0.020767  0.351610  1
  Fe  Fe22  1  0.644119  0.591227  0.282386  1
  Fe  Fe23  1  0.663017  0.285862  0.343106  1
  Fe  Fe24  1  0.653987  0.936826  0.312995  1
  Fe  Fe25  1  0.819457  0.535625  0.334539  1
  Fe  Fe26  1  0.817704  0.187078  0.304885  1
  Fe  Fe27  1  0.805034  0.839160  0.273929  1
  Fe  Fe28  1  0.329077  0.668829  0.315073  1
  Fe  Fe29  1  0.325080  0.320720  0.284985  1
  Fe  Fe30  1  0.337355  0.017411  0.345387  1
  Fe  Fe31  1  0.015452  0.759031  0.367536  1
  Fe  Fe32  1  0.029389  0.456476  0.428213  1
  Fe  Fe33  1  0.023301  0.107748  0.397877  1
  Fe  Fe34  1  0.187356  0.674044  0.450525  1
  Fe  Fe35  1  0.181097  0.325324  0.420257  1
  Fe  Fe36  1  0.173592  0.976700  0.389978  1
  Fe  Fe37  1  0.360658  0.850917  0.392670  1
  Fe  Fe38  1  0.374329  0.548563  0.453262  1
  Fe  Fe39  1  0.368425  0.199711  0.422996  1
  Fe  Fe40  1  0.865292  0.860896  0.412438  1
  Fe  Fe41  1  0.857096  0.512100  0.382107  1
  Fe  Fe42  1  0.872848  0.209805  0.442782  1
  Fe  Fe43  1  0.336928  0.572101  0.405669  1
  Fe  Fe44  1  0.331697  0.223165  0.375393  1
  Fe  Fe45  1  0.345504  0.920803  0.436023  1
  Fe  Fe46  1  0.533695  0.798385  0.444793  1
  Fe  Fe47  1  0.525632  0.449661  0.414460  1
  Fe  Fe48  1  0.520695  0.100921  0.384125  1
  Fe  Fe49  1  0.852265  0.718066  0.412117  1
  Fe  Fe50  1  0.844654  0.369248  0.381665  1
  Fe  Fe51  1  0.859995  0.066890  0.442454  1
  Fe  Fe52  1  0.668456  0.634453  0.373292  1
  Fe  Fe53  1  0.684453  0.332291  0.434000  1
  Fe  Fe54  1  0.676996  0.983406  0.403728  1
  Fe  Fe55  1  0.842396  0.582064  0.425438  1
  Fe  Fe56  1  0.836129  0.233274  0.395233  1
  Fe  Fe57  1  0.828426  0.884514  0.365023  1
  Fe  Fe58  1  0.350380  0.714882  0.406012  1
  Fe  Fe59  1  0.343254  0.366102  0.375780  1
  Fe  Fe60  1  0.358533  0.063724  0.436375  1
  Fe  Fe61  1  0.037337  0.805355  0.458529  1
  Fe  Fe62  1  0.051556  0.502914  0.519140  1
  Fe  Fe63  1  0.044540  0.154127  0.488838  1
  Fe  Fe64  1  0.209688  0.720483  0.541495  1
  Fe  Fe65  1  0.202485  0.371711  0.511186  1
  Fe  Fe66  1  0.195470  0.022924  0.480883  1
  Fe  Fe67  1  0.382373  0.897330  0.483617  1
  Fe  Fe68  1  0.396611  0.595013  0.544184  1
  Fe  Fe69  1  0.389521  0.246134  0.513915  1
  Fe  Fe70  1  0.887435  0.907329  0.503398  1
  Fe  Fe71  1  0.879535  0.558582  0.473063  1
  Fe  Fe72  1  0.894203  0.256217  0.533714  1
  Fe  Fe73  1  0.359591  0.618509  0.496626  1
  Fe  Fe74  1  0.352822  0.269621  0.466309  1
  Fe  Fe75  1  0.367490  0.967256  0.526960  1
  Fe  Fe76  1  0.555852  0.844863  0.535755  1
  Fe  Fe77  1  0.547974  0.496042  0.505396  1
  Fe  Fe78  1  0.541200  0.147173  0.475097  1
  Fe  Fe79  1  0.874439  0.764505  0.503053  1
  Fe  Fe80  1  0.866761  0.415712  0.472682  1
  Fe  Fe81  1  0.881691  0.113290  0.533346  1
  Fe  Fe82  1  0.691173  0.680975  0.464268  1
  Fe  Fe83  1  0.705826  0.378665  0.524926  1
  Fe  Fe84  1  0.699051  0.029796  0.494628  1
  Fe  Fe85  1  0.864652  0.628508  0.516407  1
  Fe  Fe86  1  0.857504  0.279704  0.486109  1
  Fe  Fe87  1  0.850414  0.930825  0.455840  1
  Fe  Fe88  1  0.372586  0.761333  0.496971  1
  Fe  Fe89  1  0.365334  0.412548  0.466678  1
  Fe  Fe90  1  0.380264  0.110126  0.527341  1
  Fe  Fe91  1  0.059669  0.851794  0.549498  1
  Fe  Fe92  1  0.073434  0.549138  0.610046  1
  Fe  Fe93  1  0.065929  0.200514  0.579767  1
  Fe  Fe94  1  0.231573  0.766807  0.632488  1
  Fe  Fe95  1  0.223725  0.418090  0.602147  1
  Fe  Fe96  1  0.217637  0.069362  0.571810  1
  Fe  Fe97  1  0.404629  0.943774  0.574586  1
  Fe  Fe98  1  0.418599  0.641324  0.635000  1
  Fe  Fe99  1  0.410896  0.292564  0.604791  1
  Fe  Fe100  1  0.910097  0.953737  0.594355  1
  Fe  Fe101  1  0.901521  0.605035  0.564000  1
  Fe  Fe102  1  0.915328  0.302673  0.624630  1
  Fe  Fe103  1  0.381734  0.664942  0.587585  1
  Fe  Fe104  1  0.374178  0.316033  0.557241  1
  Fe  Fe105  1  0.389930  0.013738  0.617917  1
  Fe  Fe106  1  0.578569  0.891385  0.626732  1
  Fe  Fe107  1  0.570030  0.542433  0.596295  1
  Fe  Fe108  1  0.562572  0.193547  0.566023  1
  Fe  Fe109  1  0.896646  0.810956  0.594012  1
  Fe  Fe110  1  0.888493  0.462114  0.563648  1
  Fe  Fe111  1  0.903771  0.159736  0.624244  1
  Fe  Fe112  1  0.713330  0.727453  0.555231  1
  Fe  Fe113  1  0.726331  0.424918  0.615898  1
  Fe  Fe114  1  0.721393  0.076177  0.585563  1
  Fe  Fe115  1  0.886368  0.674921  0.607353  1
  Fe  Fe116  1  0.878600  0.326127  0.577028  1
  Fe  Fe117  1  0.872696  0.977276  0.546762  1
  Fe  Fe118  1  0.394761  0.807772  0.587907  1
  Fe  Fe119  1  0.387031  0.458948  0.557570  1
  Fe  Fe120  1  0.402371  0.156590  0.618359  1
  Fe  Fe121  1  0.082846  0.897993  0.640502  1
  Fe  Fe122  1  0.099717  0.596589  0.700960  1
  Fe  Fe123  1  0.084615  0.246560  0.670576  1
  Fe  Fe124  1  0.249779  0.815151  0.723196  1
  Fe  Fe125  1  0.242092  0.464136  0.693036  1
  Fe  Fe126  1  0.240046  0.115832  0.662655  1
  Fe  Fe127  1  0.427568  0.990213  0.665485  1
  Fe  Fe128  1  0.441991  0.686678  0.726095  1
  Fe  Fe129  1  0.429321  0.338760  0.695139  1
  Fe  Fe130  1  0.934324  0.999676  0.685424  1
  Fe  Fe131  1  0.923446  0.651315  0.654900  1
  Fe  Fe132  1  0.929668  0.348279  0.716004  1
  Fe  Fe133  1  0.403009  0.710761  0.678390  1
  Fe  Fe134  1  0.395276  0.362649  0.648268  1
  Fe  Fe135  1  0.409362  0.059463  0.708968  1
  Fe  Fe136  1  0.602907  0.934611  0.717638  1
  Fe  Fe137  1  0.593038  0.589012  0.687028  1
  Fe  Fe138  1  0.584008  0.239976  0.656918  1
  Fe  Fe139  1  0.917949  0.857009  0.684951  1
  Fe  Fe140  1  0.909670  0.508427  0.654637  1
  Fe  Fe141  1  0.921946  0.205118  0.715039  1
  Fe  Fe142  1  0.734313  0.773856  0.646231  1
  Fe  Fe143  1  0.738437  0.469990  0.707367  1
  Fe  Fe144  1  0.740681  0.122411  0.676654  1
  Fe  Fe145  1  0.905755  0.721327  0.698329  1
  Fe  Fe146  1  0.898725  0.372701  0.667989  1
  Fe  Fe147  1  0.895911  0.023732  0.637732  1
  Fe  Fe148  1  0.417060  0.853757  0.678793  1
  Fe  Fe149  1  0.408920  0.505071  0.648413  1
  Fe  Fe150  1  0.418509  0.204215  0.707896  1
  C  C151  1  0.661746  0.739305  0.295730  1
  C  C152  1  0.669695  0.436110  0.356479  1
  C  C153  1  0.666338  0.087030  0.326072  1
  C  C154  1  0.988615  0.582667  0.303019  1
  C  C155  1  0.988849  0.233689  0.273380  1
  C  C156  1  0.000639  0.931596  0.333622  1
  C  C157  1  0.167082  0.758012  0.333102  1
  C  C158  1  0.158566  0.409148  0.302939  1
  C  C159  1  0.174707  0.106453  0.363441  1
  C  C160  1  0.500771  0.601573  0.340346  1
  C  C161  1  0.497645  0.253006  0.310082  1
  C  C162  1  0.486844  0.905063  0.279951  1
  C  C163  1  0.678749  0.784767  0.386803  1
  C  C164  1  0.692743  0.482519  0.447426  1
  C  C165  1  0.686760  0.133647  0.417137  1
  C  C166  1  0.014322  0.629042  0.394009  1
  C  C167  1  0.008691  0.280056  0.363807  1
  C  C168  1  0.022812  0.977823  0.424432  1
  C  C169  1  0.187975  0.803946  0.424072  1
  C  C170  1  0.179807  0.455167  0.393748  1
  C  C171  1  0.195424  0.152761  0.454388  1
  C  C172  1  0.524084  0.648125  0.431300  1
  C  C173  1  0.517751  0.299372  0.401027  1
  C  C174  1  0.510112  0.950686  0.370746  1
  C  C175  1  0.700643  0.831242  0.477765  1
  C  C176  1  0.714947  0.528926  0.538364  1
  C  C177  1  0.707916  0.180084  0.508072  1
  C  C178  1  0.036932  0.675465  0.484989  1
  C  C179  1  0.030221  0.326660  0.454707  1
  C  C180  1  0.044834  0.024245  0.515341  1
  C  C181  1  0.210094  0.850373  0.515035  1
  C  C182  1  0.202192  0.501593  0.484683  1
  C  C183  1  0.216804  0.199178  0.545317  1
  C  C184  1  0.546383  0.694596  0.522258  1
  C  C185  1  0.539109  0.345754  0.491952  1
  C  C186  1  0.532079  0.996912  0.461659  1
  C  C187  1  0.722942  0.877713  0.568723  1
  C  C188  1  0.736913  0.575152  0.629278  1
  C  C189  1  0.729275  0.226466  0.598997  1
  C  C190  1  0.059050  0.721892  0.575952  1
  C  C191  1  0.051601  0.373077  0.545636  1
  C  C192  1  0.067219  0.070671  0.606275  1
  C  C193  1  0.232704  0.896796  0.606015  1
  C  C194  1  0.224214  0.548015  0.575591  1
  C  C195  1  0.238334  0.245782  0.636217  1
  C  C196  1  0.568277  0.741071  0.613220  1
  C  C197  1  0.560266  0.392191  0.582887  1
  C  C198  1  0.554282  0.043319  0.552598  1
  C  C199  1  0.746255  0.924265  0.659678  1
  C  C200  1  0.760182  0.620775  0.720073  1
  C  C201  1  0.749380  0.272832  0.689942  1
  C  C202  1  0.079943  0.767826  0.666921  1
  C  C203  1  0.072318  0.419385  0.636583  1
  C  C204  1  0.088459  0.116690  0.697085  1
  C  C205  1  0.258410  0.943171  0.697004  1
  C  C206  1  0.246386  0.594242  0.666402  1
  C  C207  1  0.258176  0.292149  0.726643  1
  C  C208  1  0.585280  0.786533  0.704294  1
  C  C209  1  0.580687  0.438808  0.673952  1
  C  C210  1  0.577331  0.089728  0.643545  1
