# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79629983
_cell_length_b   18.46037682
_cell_length_c   53.55822175
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe180 C72'
_cell_volume   4742.12540807
_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  0.428562  0.381851  0.349187  1
  Fe  Fe2  1  0.423634  0.586990  0.397399  1
  Fe  Fe3  1  0.431905  0.179478  0.300892  1
  Fe  Fe4  1  0.923981  0.194295  0.378026  1
  Fe  Fe5  1  0.923742  0.399433  0.425542  1
  Fe  Fe6  1  0.925090  0.988701  0.330893  1
  Fe  Fe7  1  0.606572  0.169587  0.344609  1
  Fe  Fe8  1  0.608056  0.374437  0.392277  1
  Fe  Fe9  1  0.603156  0.964486  0.296834  1
  Fe  Fe10  1  0.112573  0.202449  0.335862  1
  Fe  Fe11  1  0.112744  0.406917  0.383016  1
  Fe  Fe12  1  0.108354  0.612212  0.430636  1
  Fe  Fe13  1  0.893716  0.304601  0.359281  1
  Fe  Fe14  1  0.892137  0.509826  0.406902  1
  Fe  Fe15  1  0.893440  0.099575  0.310578  1
  Fe  Fe16  1  0.390569  0.271861  0.368279  1
  Fe  Fe17  1  0.390796  0.476707  0.415984  1
  Fe  Fe18  1  0.391450  0.067205  0.320568  1
  Fe  Fe19  1  0.573513  0.279406  0.325569  1
  Fe  Fe20  1  0.575103  0.484863  0.373348  1
  Fe  Fe21  1  0.574343  0.689792  0.420993  1
  Fe  Fe22  1  0.075355  0.092206  0.354178  1
  Fe  Fe23  1  0.074080  0.296855  0.401875  1
  Fe  Fe24  1  0.091570  0.887883  0.304883  1
  Fe  Fe25  1  0.969649  0.385118  0.328578  1
  Fe  Fe26  1  0.973172  0.589266  0.375661  1
  Fe  Fe27  1  0.973965  0.794437  0.423325  1
  Fe  Fe28  1  0.018473  0.282128  0.303636  1
  Fe  Fe29  1  0.020473  0.487588  0.352141  1
  Fe  Fe30  1  0.023838  0.692163  0.399616  1
  Fe  Fe31  1  0.924759  0.189792  0.420993  1
  Fe  Fe32  1  0.925589  0.779406  0.325569  1
  Fe  Fe33  1  0.924000  0.984863  0.373348  1
  Fe  Fe34  1  0.407532  0.387883  0.304883  1
  Fe  Fe35  1  0.423747  0.592206  0.354178  1
  Fe  Fe36  1  0.425022  0.796855  0.401875  1
  Fe  Fe37  1  0.108306  0.976707  0.415984  1
  Fe  Fe38  1  0.107653  0.567205  0.320568  1
  Fe  Fe39  1  0.108533  0.771861  0.368279  1
  Fe  Fe40  1  0.606965  0.009826  0.406902  1
  Fe  Fe41  1  0.605662  0.599575  0.310578  1
  Fe  Fe42  1  0.605386  0.804601  0.359281  1
  Fe  Fe43  1  0.390748  0.112212  0.430636  1
  Fe  Fe44  1  0.386529  0.702449  0.335862  1
  Fe  Fe45  1  0.386358  0.906917  0.383016  1
  Fe  Fe46  1  0.895946  0.464486  0.296834  1
  Fe  Fe47  1  0.892530  0.669587  0.344609  1
  Fe  Fe48  1  0.891046  0.874437  0.392277  1
  Fe  Fe49  1  0.075468  0.086990  0.397399  1
  Fe  Fe50  1  0.067197  0.679478  0.300892  1
  Fe  Fe51  1  0.070541  0.881851  0.349187  1
  Fe  Fe52  1  0.575360  0.899433  0.425542  1
  Fe  Fe53  1  0.574013  0.488701  0.330893  1
  Fe  Fe54  1  0.575121  0.694295  0.378026  1
  Fe  Fe55  1  0.475264  0.192163  0.399616  1
  Fe  Fe56  1  0.480629  0.782128  0.303636  1
  Fe  Fe57  1  0.478629  0.987588  0.352141  1
  Fe  Fe58  1  0.525931  0.089266  0.375661  1
  Fe  Fe59  1  0.525138  0.294437  0.423325  1
  Fe  Fe60  1  0.529453  0.885118  0.328578  1
  Fe  Fe61  1  0.423866  -0.002647  0.492508  1
  Fe  Fe62  1  0.424102  0.202424  0.540103  1
  Fe  Fe63  1  0.423440  0.792188  0.444987  1
  Fe  Fe64  1  0.923866  0.809572  0.520777  1
  Fe  Fe65  1  0.923440  0.014737  0.568299  1
  Fe  Fe66  1  0.924102  0.604501  0.473183  1
  Fe  Fe67  1  0.608149  0.784457  0.487419  1
  Fe  Fe68  1  0.607843  0.989547  0.535018  1
  Fe  Fe69  1  0.608445  0.579441  0.439825  1
  Fe  Fe70  1  0.107843  0.817378  0.478268  1
  Fe  Fe71  1  0.108149  0.022468  0.525866  1
  Fe  Fe72  1  0.108445  0.227483  0.573461  1
  Fe  Fe73  1  0.890230  0.919885  0.502055  1
  Fe  Fe74  1  0.890609  0.125027  0.549658  1
  Fe  Fe75  1  0.890231  0.714797  0.454461  1
  Fe  Fe76  1  0.390230  0.887039  0.511230  1
  Fe  Fe77  1  0.390231  0.092128  0.558824  1
  Fe  Fe78  1  0.390609  0.681898  0.463627  1
  Fe  Fe79  1  0.574511  0.894813  0.468659  1
  Fe  Fe80  1  0.574925  0.099911  0.516307  1
  Fe  Fe81  1  0.574841  0.305048  0.563881  1
  Fe  Fe82  1  0.074925  0.707013  0.496979  1
  Fe  Fe83  1  0.074511  0.912111  0.544626  1
  Fe  Fe84  1  0.074841  0.501877  0.449404  1
  Fe  Fe85  1  0.974371  -0.000336  0.470940  1
  Fe  Fe86  1  0.974479  0.204781  0.518548  1
  Fe  Fe87  1  0.974740  0.409816  0.566120  1
  Fe  Fe88  1  0.024363  0.897109  0.447166  1
  Fe  Fe89  1  0.024623  0.102143  0.494738  1
  Fe  Fe90  1  0.024731  0.307260  0.542346  1
  Fe  Fe91  1  0.924261  0.805048  0.563881  1
  Fe  Fe92  1  0.924591  0.394813  0.468659  1
  Fe  Fe93  1  0.924177  0.599911  0.516307  1
  Fe  Fe94  1  0.424261  0.001877  0.449404  1
  Fe  Fe95  1  0.424177  0.207013  0.496979  1
  Fe  Fe96  1  0.424591  0.412111  0.544626  1
  Fe  Fe97  1  0.108872  0.592128  0.558824  1
  Fe  Fe98  1  0.108493  0.181898  0.463627  1
  Fe  Fe99  1  0.108872  0.387039  0.511230  1
  Fe  Fe100  1  0.608493  0.625027  0.549658  1
  Fe  Fe101  1  0.608872  0.214797  0.454461  1
  Fe  Fe102  1  0.608872  0.419885  0.502055  1
  Fe  Fe103  1  0.390658  0.727483  0.573461  1
  Fe  Fe104  1  0.391260  0.317378  0.478268  1
  Fe  Fe105  1  0.390953  0.522468  0.525866  1
  Fe  Fe106  1  0.890658  0.079441  0.439825  1
  Fe  Fe107  1  0.890953  0.284457  0.487419  1
  Fe  Fe108  1  0.891260  0.489547  0.535018  1
  Fe  Fe109  1  0.075000  0.702424  0.540103  1
  Fe  Fe110  1  0.075662  0.292188  0.444987  1
  Fe  Fe111  1  0.075236  0.497353  0.492508  1
  Fe  Fe112  1  0.575662  0.514737  0.568299  1
  Fe  Fe113  1  0.575000  0.104501  0.473183  1
  Fe  Fe114  1  0.575236  0.309572  0.520777  1
  Fe  Fe115  1  0.474371  0.807260  0.542346  1
  Fe  Fe116  1  0.474740  0.397109  0.447166  1
  Fe  Fe117  1  0.474479  0.602143  0.494738  1
  Fe  Fe118  1  0.524623  0.704781  0.518548  1
  Fe  Fe119  1  0.524363  0.909816  0.566120  1
  Fe  Fe120  1  0.524731  0.499664  0.470940  1
  Fe  Fe121  1  0.423981  0.612629  0.635260  1
  Fe  Fe122  1  0.425090  0.818224  0.682393  1
  Fe  Fe123  1  0.423742  0.407492  0.587743  1
  Fe  Fe124  1  0.928562  0.425074  0.664098  1
  Fe  Fe125  1  0.931905  0.627446  0.712394  1
  Fe  Fe126  1  0.923634  0.219935  0.615886  1
  Fe  Fe127  1  0.612744  0.400008  0.630270  1
  Fe  Fe128  1  0.612573  0.604475  0.677423  1
  Fe  Fe129  1  0.608354  0.194713  0.582649  1
  Fe  Fe130  1  0.108056  0.432488  0.621008  1
  Fe  Fe131  1  0.106572  0.637338  0.668677  1
  Fe  Fe132  1  0.103156  0.842439  0.716452  1
  Fe  Fe133  1  0.890569  0.535064  0.645007  1
  Fe  Fe134  1  0.891450  0.739719  0.692718  1
  Fe  Fe135  1  0.890796  0.330217  0.597301  1
  Fe  Fe136  1  0.393716  0.502324  0.654004  1
  Fe  Fe137  1  0.393440  0.707349  0.702708  1
  Fe  Fe138  1  0.392137  0.297098  0.606383  1
  Fe  Fe139  1  0.574080  0.510069  0.611410  1
  Fe  Fe140  1  0.575355  0.714719  0.659108  1
  Fe  Fe141  1  0.591570  0.919041  0.708402  1
  Fe  Fe142  1  0.075103  0.322062  0.639938  1
  Fe  Fe143  1  0.073513  0.527518  0.687716  1
  Fe  Fe144  1  0.074343  0.117133  0.592292  1
  Fe  Fe145  1  0.975264  0.614762  0.613670  1
  Fe  Fe146  1  0.978629  0.819336  0.661145  1
  Fe  Fe147  1  0.980629  0.024797  0.709649  1
  Fe  Fe148  1  0.025138  0.512488  0.589960  1
  Fe  Fe149  1  0.025931  0.717659  0.637625  1
  Fe  Fe150  1  0.029453  0.921807  0.684708  1
  Fe  Fe151  1  0.907532  0.419041  0.708402  1
  Fe  Fe152  1  0.925022  0.010069  0.611410  1
  Fe  Fe153  1  0.923747  0.214719  0.659108  1
  Fe  Fe154  1  0.424759  0.617133  0.592292  1
  Fe  Fe155  1  0.424000  0.822062  0.639938  1
  Fe  Fe156  1  0.425589  0.027518  0.687716  1
  Fe  Fe157  1  0.105662  0.207349  0.702708  1
  Fe  Fe158  1  0.106965  0.797098  0.606383  1
  Fe  Fe159  1  0.105386  0.002324  0.654004  1
  Fe  Fe160  1  0.607653  0.239719  0.692718  1
  Fe  Fe161  1  0.608306  0.830217  0.597301  1
  Fe  Fe162  1  0.608533  0.035064  0.645007  1
  Fe  Fe163  1  0.395946  0.342439  0.716452  1
  Fe  Fe164  1  0.391046  0.932488  0.621008  1
  Fe  Fe165  1  0.392530  0.137338  0.668677  1
  Fe  Fe166  1  0.890748  0.694713  0.582649  1
  Fe  Fe167  1  0.886358  0.900008  0.630270  1
  Fe  Fe168  1  0.886529  0.104475  0.677423  1
  Fe  Fe169  1  0.074013  0.318224  0.682393  1
  Fe  Fe170  1  0.075360  0.907492  0.587743  1
  Fe  Fe171  1  0.075121  0.112629  0.635260  1
  Fe  Fe172  1  0.567197  0.127446  0.712394  1
  Fe  Fe173  1  0.575468  0.719935  0.615886  1
  Fe  Fe174  1  0.570541  0.925074  0.664098  1
  Fe  Fe175  1  0.469649  0.421807  0.684708  1
  Fe  Fe176  1  0.473965  0.012488  0.589960  1
  Fe  Fe177  1  0.473172  0.217659  0.637625  1
  Fe  Fe178  1  0.520473  0.319336  0.661145  1
  Fe  Fe179  1  0.518473  0.524797  0.709649  1
  Fe  Fe180  1  0.523838  0.114762  0.613670  1
  C  C181  1  0.704637  0.273493  0.390567  1
  C  C182  1  0.713132  0.864329  0.296384  1
  C  C183  1  0.706425  0.068888  0.342738  1
  C  C184  1  0.203896  0.303803  0.336554  1
  C  C185  1  0.204998  0.508173  0.384481  1
  C  C186  1  0.204630  0.713202  0.432217  1
  C  C187  1  0.797635  0.200250  0.313698  1
  C  C188  1  0.795315  0.405405  0.361129  1
  C  C189  1  0.793885  0.610697  0.408399  1
  C  C190  1  0.294876  0.170768  0.367154  1
  C  C191  1  0.294089  0.375720  0.414570  1
  C  C192  1  0.296302  0.966053  0.319914  1
  C  C193  1  0.202800  0.466053  0.319914  1
  C  C194  1  0.204227  0.670768  0.367154  1
  C  C195  1  0.205013  0.875720  0.414570  1
  C  C196  1  0.705217  0.110697  0.408399  1
  C  C197  1  0.701468  0.700250  0.313698  1
  C  C198  1  0.703787  0.905405  0.361129  1
  C  C199  1  0.294104  0.008173  0.384481  1
  C  C200  1  0.294472  0.213202  0.432217  1
  C  C201  1  0.295206  0.803803  0.336554  1
  C  C202  1  0.785970  0.364329  0.296384  1
  C  C203  1  0.792677  0.568888  0.342738  1
  C  C204  1  0.794466  0.773493  0.390567  1
  C  C205  1  0.704647  0.888585  0.533472  1
  C  C206  1  0.704808  0.478454  0.438272  1
  C  C207  1  0.704817  0.683483  0.485894  1
  C  C208  1  0.204647  0.918339  0.479813  1
  C  C209  1  0.204817  0.123441  0.527392  1
  C  C210  1  0.204808  0.328470  0.575013  1
  C  C211  1  0.793802  0.815786  0.455982  1
  C  C212  1  0.793956  0.020880  0.503598  1
  C  C213  1  0.794073  0.226002  0.551213  1
  C  C214  1  0.293956  0.786045  0.509688  1
  C  C215  1  0.293802  0.991139  0.557304  1
  C  C216  1  0.294073  0.580922  0.462072  1
  C  C217  1  0.205029  0.080922  0.462072  1
  C  C218  1  0.205146  0.286045  0.509688  1
  C  C219  1  0.205300  0.491139  0.557304  1
  C  C220  1  0.705029  0.726002  0.551213  1
  C  C221  1  0.705300  0.315786  0.455982  1
  C  C222  1  0.705146  0.520880  0.503598  1
  C  C223  1  0.294285  0.623441  0.527392  1
  C  C224  1  0.294294  0.828470  0.575013  1
  C  C225  1  0.294455  0.418339  0.479813  1
  C  C226  1  0.794294  0.978454  0.438272  1
  C  C227  1  0.794285  0.183483  0.485894  1
  C  C228  1  0.794455  0.388585  0.533472  1
  C  C229  1  0.703896  0.503122  0.676732  1
  C  C230  1  0.704630  0.093723  0.581068  1
  C  C231  1  0.704998  0.298751  0.628805  1
  C  C232  1  0.204637  0.533431  0.622719  1
  C  C233  1  0.206425  0.738037  0.670547  1
  C  C234  1  0.213132  0.942596  0.716902  1
  C  C235  1  0.794089  0.431205  0.598715  1
  C  C236  1  0.794876  0.636156  0.646132  1
  C  C237  1  0.796302  0.840871  0.693371  1
  C  C238  1  0.295315  0.401520  0.652157  1
  C  C239  1  0.297635  0.606674  0.699588  1
  C  C240  1  0.293885  0.196227  0.604887  1
  C  C241  1  0.205217  0.696227  0.604887  1
  C  C242  1  0.203787  0.901520  0.652157  1
  C  C243  1  0.201468  0.106674  0.699588  1
  C  C244  1  0.702800  0.340871  0.693371  1
  C  C245  1  0.705013  0.931205  0.598715  1
  C  C246  1  0.704227  0.136156  0.646132  1
  C  C247  1  0.292677  0.238037  0.670547  1
  C  C248  1  0.285970  0.442596  0.716902  1
  C  C249  1  0.294466  0.033431  0.622719  1
  C  C250  1  0.794472  0.593723  0.581068  1
  C  C251  1  0.794104  0.798751  0.628805  1
  C  C252  1  0.795206  0.003122  0.676732  1
