# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79356659
_cell_length_b   15.87468265
_cell_length_c   48.95420056
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.79550184
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe150 C60'
_cell_volume   3725.21216907
_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  0.830830  0.241889  0.304255  1
  Fe  Fe2  1  0.342955  0.851915  0.273568  1
  Fe  Fe3  1  0.338853  0.636976  0.335671  1
  Fe  Fe4  1  0.692083  0.997870  0.321443  1
  Fe  Fe5  1  0.183545  0.606100  0.290076  1
  Fe  Fe6  1  0.184995  0.388310  0.351400  1
  Fe  Fe7  1  0.651845  0.970997  0.275453  1
  Fe  Fe8  1  0.655164  0.752104  0.336393  1
  Fe  Fe9  1  0.148163  0.360761  0.306671  1
  Fe  Fe10  1  0.367496  0.252291  0.336011  1
  Fe  Fe11  1  0.877905  0.859899  0.305576  1
  Fe  Fe12  1  0.376364  0.469945  0.275522  1
  Fe  Fe13  1  0.170636  0.989612  0.290376  1
  Fe  Fe14  1  0.155211  0.771512  0.350856  1
  Fe  Fe15  1  0.648802  0.380961  0.320539  1
  Fe  Fe16  1  0.686961  0.137183  0.335833  1
  Fe  Fe17  1  0.186454  0.744585  0.304806  1
  Fe  Fe18  1  0.691122  0.349819  0.274251  1
  Fe  Fe19  1  0.296884  0.174306  0.297913  1
  Fe  Fe20  1  0.288807  0.957367  0.358530  1
  Fe  Fe21  1  0.789119  0.566409  0.328443  1
  Fe  Fe22  1  0.846379  0.105073  0.289626  1
  Fe  Fe23  1  0.838163  0.888181  0.351198  1
  Fe  Fe24  1  0.332238  0.498109  0.321460  1
  Fe  Fe25  1  0.868531  0.271346  0.350487  1
  Fe  Fe26  1  0.381416  0.881851  0.320297  1
  Fe  Fe27  1  0.860980  0.488324  0.290065  1
  Fe  Fe28  1  0.236662  0.065974  0.328389  1
  Fe  Fe29  1  0.730573  0.677088  0.297914  1
  Fe  Fe30  1  0.239787  0.293305  0.267193  1
  Fe  Fe31  1  0.340161  0.418043  0.396138  1
  Fe  Fe32  1  0.838976  0.026810  0.365452  1
  Fe  Fe33  1  0.839917  0.808739  0.426329  1
  Fe  Fe34  1  0.184788  0.168916  0.411690  1
  Fe  Fe35  1  0.686322  0.778601  0.381839  1
  Fe  Fe36  1  0.686861  0.559853  0.442262  1
  Fe  Fe37  1  0.152657  0.143584  0.365864  1
  Fe  Fe38  1  0.153624  0.924689  0.426875  1
  Fe  Fe39  1  0.654187  0.533879  0.396776  1
  Fe  Fe40  1  0.873429  0.424283  0.426948  1
  Fe  Fe41  1  0.371172  0.033719  0.396681  1
  Fe  Fe42  1  0.871664  0.643323  0.366080  1
  Fe  Fe43  1  0.652712  0.162468  0.380955  1
  Fe  Fe44  1  0.653312  0.944207  0.441585  1
  Fe  Fe45  1  0.154004  0.553334  0.411373  1
  Fe  Fe46  1  0.190310  0.307313  0.426176  1
  Fe  Fe47  1  0.688345  0.917147  0.395969  1
  Fe  Fe48  1  0.188423  0.526307  0.365650  1
  Fe  Fe49  1  0.788355  0.348324  0.388822  1
  Fe  Fe50  1  0.787831  0.129648  0.449261  1
  Fe  Fe51  1  0.289139  0.738999  0.419151  1
  Fe  Fe52  1  0.335673  0.279469  0.381914  1
  Fe  Fe53  1  0.336486  0.061062  0.442299  1
  Fe  Fe54  1  0.837596  0.669751  0.412010  1
  Fe  Fe55  1  0.372750  0.443841  0.441571  1
  Fe  Fe56  1  0.871045  0.053302  0.411197  1
  Fe  Fe57  1  0.371565  0.662354  0.380987  1
  Fe  Fe58  1  0.738546  0.238670  0.419121  1
  Fe  Fe59  1  0.238576  0.848140  0.388829  1
  Fe  Fe60  1  0.736510  0.457218  0.358718  1
  Fe  Fe61  1  0.841179  0.590043  0.486874  1
  Fe  Fe62  1  0.341566  0.199142  0.456607  1
  Fe  Fe63  1  0.342802  0.980556  0.517260  1
  Fe  Fe64  1  0.687977  0.341054  0.502795  1
  Fe  Fe65  1  0.186354  0.950541  0.472409  1
  Fe  Fe66  1  0.187591  0.731955  0.533062  1
  Fe  Fe67  1  0.655918  0.315007  0.457283  1
  Fe  Fe68  1  0.656862  0.096391  0.517842  1
  Fe  Fe69  1  0.155241  0.706035  0.487555  1
  Fe  Fe70  1  0.373918  0.596574  0.517791  1
  Fe  Fe71  1  0.874493  0.205523  0.487436  1
  Fe  Fe72  1  0.372669  0.815197  0.457228  1
  Fe  Fe73  1  0.155238  0.334523  0.471878  1
  Fe  Fe74  1  0.156487  0.115900  0.532441  1
  Fe  Fe75  1  0.654663  0.725574  0.502233  1
  Fe  Fe76  1  0.690847  0.479867  0.517080  1
  Fe  Fe77  1  0.191228  0.088687  0.486788  1
  Fe  Fe78  1  0.689507  0.698570  0.456547  1
  Fe  Fe79  1  0.289743  0.520322  0.479659  1
  Fe  Fe80  1  0.290480  0.301612  0.540205  1
  Fe  Fe81  1  0.789443  0.911030  0.509888  1
  Fe  Fe82  1  0.838309  0.451231  0.472589  1
  Fe  Fe83  1  0.839649  0.232528  0.533122  1
  Fe  Fe84  1  0.337928  0.842411  0.502881  1
  Fe  Fe85  1  0.873238  0.616090  0.532386  1
  Fe  Fe86  1  0.373915  0.225062  0.502114  1
  Fe  Fe87  1  0.872295  0.834707  0.471827  1
  Fe  Fe88  1  0.239413  0.410776  0.510010  1
  Fe  Fe89  1  0.739714  0.020068  0.479781  1
  Fe  Fe90  1  0.238676  0.629486  0.449464  1
  Fe  Fe91  1  0.344368  0.762181  0.577979  1
  Fe  Fe92  1  0.842295  0.371245  0.547407  1
  Fe  Fe93  1  0.842834  0.152496  0.607830  1
  Fe  Fe94  1  0.188995  0.513054  0.593531  1
  Fe  Fe95  1  0.689240  0.122359  0.563340  1
  Fe  Fe96  1  0.690180  0.904287  0.624217  1
  Fe  Fe97  1  0.156407  0.487257  0.548098  1
  Fe  Fe98  1  0.157592  0.268744  0.608682  1
  Fe  Fe99  1  0.658111  0.877796  0.578472  1
  Fe  Fe100  1  0.876444  0.768630  0.608714  1
  Fe  Fe101  1  0.375152  0.377764  0.578296  1
  Fe  Fe102  1  0.875844  0.986890  0.548084  1
  Fe  Fe103  1  0.655727  0.506815  0.562721  1
  Fe  Fe104  1  0.657492  0.287775  0.623589  1
  Fe  Fe105  1  0.157985  0.897379  0.592988  1
  Fe  Fe106  1  0.193483  0.651628  0.607755  1
  Fe  Fe107  1  0.691560  0.261347  0.577659  1
  Fe  Fe108  1  0.192670  0.870035  0.547370  1
  Fe  Fe109  1  0.790610  0.692428  0.570548  1
  Fe  Fe110  1  0.792646  0.473879  0.630951  1
  Fe  Fe111  1  0.290580  0.082958  0.600840  1
  Fe  Fe112  1  0.338846  0.623785  0.563493  1
  Fe  Fe113  1  0.340733  0.404791  0.624019  1
  Fe  Fe114  1  0.840811  0.013951  0.593700  1
  Fe  Fe115  1  0.376500  0.787513  0.623805  1
  Fe  Fe116  1  0.874969  0.397219  0.592893  1
  Fe  Fe117  1  0.375532  1.006409  0.562794  1
  Fe  Fe118  1  0.740801  0.582773  0.600847  1
  Fe  Fe119  1  0.240017  0.192099  0.570518  1
  Fe  Fe120  1  0.741325  0.801450  0.540408  1
  Fe  Fe121  1  0.837073  0.933228  0.668226  1
  Fe  Fe122  1  0.344161  0.542787  0.638269  1
  Fe  Fe123  1  0.345611  0.324997  0.699593  1
  Fe  Fe124  1  0.698326  0.689209  0.685414  1
  Fe  Fe125  1  0.190303  0.294122  0.653998  1
  Fe  Fe126  1  0.186201  0.079182  0.716101  1
  Fe  Fe127  1  0.660625  0.659752  0.639182  1
  Fe  Fe128  1  0.668176  0.442774  0.699604  1
  Fe  Fe129  1  0.147740  0.049247  0.669372  1
  Fe  Fe130  1  0.358520  0.941486  0.699293  1
  Fe  Fe131  1  0.880354  0.550136  0.669130  1
  Fe  Fe132  1  0.373945  0.159585  0.638813  1
  Fe  Fe133  1  0.161660  0.678806  0.653658  1
  Fe  Fe134  1  0.152792  0.461153  0.714147  1
  Fe  Fe135  1  0.651251  0.071198  0.684093  1
  Fe  Fe136  1  0.682778  0.826025  0.700043  1
  Fe  Fe137  1  0.196918  0.432988  0.668209  1
  Fe  Fe138  1  0.690993  0.042916  0.638471  1
  Fe  Fe139  1  0.292494  0.865123  0.661280  1
  Fe  Fe140  1  0.289369  0.637793  0.722476  1
  Fe  Fe141  1  0.798583  0.254010  0.691755  1
  Fe  Fe142  1  0.842195  0.793915  0.653836  1
  Fe  Fe143  1  0.838034  0.581278  0.715418  1
  Fe  Fe144  1  0.342702  0.186512  0.684863  1
  Fe  Fe145  1  0.877311  0.960100  0.714216  1
  Fe  Fe146  1  0.380993  0.570337  0.682998  1
  Fe  Fe147  1  0.873992  0.178994  0.653276  1
  Fe  Fe148  1  0.232272  0.756792  0.691756  1
  Fe  Fe149  1  0.740038  0.364689  0.661226  1
  Fe  Fe150  1  0.240349  0.973730  0.631139  1
  C  C151  1  0.057291  0.178615  0.329422  1
  C  C152  1  0.553616  0.790860  0.300536  1
  C  C153  1  0.053350  0.400158  0.270730  1
  C  C154  1  0.555360  0.344727  0.356860  1
  C  C155  1  0.061224  0.952742  0.326211  1
  C  C156  1  0.553591  0.563752  0.296661  1
  C  C157  1  0.980338  0.903057  0.270320  1
  C  C158  1  0.966994  0.678545  0.329677  1
  C  C159  1  0.463556  0.288811  0.299776  1
  C  C160  1  0.474905  0.065660  0.296776  1
  C  C161  1  0.468813  0.844546  0.356665  1
  C  C162  1  0.963455  0.453545  0.326338  1
  C  C163  1  0.559206  0.351631  0.421059  1
  C  C164  1  0.057387  0.961045  0.390608  1
  C  C165  1  0.557784  0.570262  0.360521  1
  C  C166  1  0.057976  0.516814  0.447608  1
  C  C167  1  0.556099  0.126247  0.417204  1
  C  C168  1  0.057448  0.735506  0.387097  1
  C  C169  1  0.467779  0.070248  0.360468  1
  C  C170  1  0.468700  0.851714  0.420994  1
  C  C171  1  0.969013  0.460953  0.390717  1
  C  C172  1  0.966104  0.235462  0.386774  1
  C  C173  1  0.967496  0.016883  0.447451  1
  C  C174  1  0.468128  0.626037  0.417248  1
  C  C175  1  0.060064  0.523806  0.511858  1
  C  C176  1  0.560191  0.132861  0.481601  1
  C  C177  1  0.058763  0.742448  0.451302  1
  C  C178  1  0.558881  0.689183  0.538489  1
  C  C179  1  0.059191  0.298077  0.508120  1
  C  C180  1  0.557633  0.907752  0.477835  1
  C  C181  1  0.970275  0.241915  0.451180  1
  C  C182  1  0.971523  0.023345  0.511834  1
  C  C183  1  0.469965  0.633021  0.481549  1
  C  C184  1  0.469092  0.407292  0.477811  1
  C  C185  1  0.470393  0.188650  0.538367  1
  C  C186  1  0.968966  0.798237  0.508068  1
  C  C187  1  0.563052  0.695636  0.602895  1
  C  C188  1  0.061028  0.305060  0.572421  1
  C  C189  1  0.561660  0.914214  0.542218  1
  C  C190  1  0.061377  0.860850  0.629201  1
  C  C191  1  0.560143  0.470144  0.598952  1
  C  C192  1  0.060456  0.079383  0.568675  1
  C  C193  1  0.471180  0.414284  0.542061  1
  C  C194  1  0.471708  0.195592  0.602572  1
  C  C195  1  0.973057  0.804851  0.572465  1
  C  C196  1  0.969950  0.579466  0.568610  1
  C  C197  1  0.971372  0.360835  0.629148  1
  C  C198  1  0.471769  0.970053  0.599061  1
  C  C199  1  0.054251  0.865437  0.692893  1
  C  C200  1  0.565701  0.477553  0.663331  1
  C  C201  1  0.060343  0.086552  0.633004  1
  C  C202  1  0.548818  0.028040  0.719349  1
  C  C203  1  0.065600  0.642287  0.689893  1
  C  C204  1  0.562162  0.252553  0.659992  1
  C  C205  1  0.973796  0.586370  0.632809  1
  C  C206  1  0.975565  0.367346  0.693008  1
  C  C207  1  0.467932  0.978356  0.663458  1
  C  C208  1  0.471865  0.752483  0.660247  1
  C  C209  1  0.475806  0.530940  0.718939  1
  C  C210  1  0.975541  0.140238  0.689133  1
