# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.08835997
_cell_length_b   7.81276086
_cell_length_c   46.21446914
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.00535760
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe210 C84'
_cell_volume   5427.06730489
_cell_formula_units_Z   42
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  0.703702  0.146210  0.326268  1
  Fe  Fe2  1  0.003921  0.005979  0.349619  1
  Fe  Fe3  1  0.403338  0.293834  0.303791  1
  Fe  Fe4  1  0.485923  0.527811  0.328506  1
  Fe  Fe5  1  0.894709  0.788701  0.283325  1
  Fe  Fe6  1  0.186309  0.659503  0.306151  1
  Fe  Fe7  1  0.530751  0.792953  0.345416  1
  Fe  Fe8  1  0.934651  0.078521  0.304477  1
  Fe  Fe9  1  0.235631  0.932201  0.324176  1
  Fe  Fe10  1  0.522025  0.032470  0.309440  1
  Fe  Fe11  1  0.819271  0.895322  0.331009  1
  Fe  Fe12  1  0.227957  0.155509  0.287528  1
  Fe  Fe13  1  0.673146  0.638756  0.347212  1
  Fe  Fe14  1  0.076401  0.918196  0.303794  1
  Fe  Fe15  1  0.374848  0.777826  0.326957  1
  Fe  Fe16  1  0.809690  0.327245  0.299447  1
  Fe  Fe17  1  0.107950  0.196358  0.320289  1
  Fe  Fe18  1  0.398860  0.053558  0.342324  1
  Fe  Fe19  1  0.560358  0.232154  0.343779  1
  Fe  Fe20  1  0.969806  0.517552  0.301419  1
  Fe  Fe21  1  0.263734  0.370691  0.322663  1
  Fe  Fe22  1  0.498734  0.748476  0.292947  1
  Fe  Fe23  1  0.793699  0.609072  0.313342  1
  Fe  Fe24  1  0.091733  0.479870  0.335955  1
  Fe  Fe25  1  0.663497  0.875412  0.310636  1
  Fe  Fe26  1  0.953762  0.745293  0.331294  1
  Fe  Fe27  1  0.367242  0.005003  0.290324  1
  Fe  Fe28  1  0.630188  0.435360  0.312358  1
  Fe  Fe29  1  0.929470  0.298598  0.335632  1
  Fe  Fe30  1  0.345186  0.577195  0.291703  1
  Fe  Fe31  1  0.596641  0.727060  0.390757  1
  Fe  Fe32  1  0.893738  0.588488  0.411777  1
  Fe  Fe33  1  0.299665  0.867250  0.369732  1
  Fe  Fe34  1  0.377240  0.108322  0.390932  1
  Fe  Fe35  1  0.783666  0.391429  0.349554  1
  Fe  Fe36  1  0.079746  0.246390  0.368989  1
  Fe  Fe37  1  0.421523  0.374694  0.407787  1
  Fe  Fe38  1  0.828099  0.655836  0.366071  1
  Fe  Fe39  1  0.125323  0.514370  0.387072  1
  Fe  Fe40  1  0.411938  0.613603  0.372093  1
  Fe  Fe41  1  0.708503  0.474586  0.392897  1
  Fe  Fe42  1  0.116222  0.754182  0.351305  1
  Fe  Fe43  1  0.562710  0.221154  0.409290  1
  Fe  Fe44  1  0.966251  0.501550  0.368024  1
  Fe  Fe45  1  0.266015  0.360277  0.388564  1
  Fe  Fe46  1  0.695069  0.914486  0.363125  1
  Fe  Fe47  1  0.994401  0.774927  0.382934  1
  Fe  Fe48  1  0.289701  0.635986  0.404441  1
  Fe  Fe49  1  0.451531  0.816456  0.405929  1
  Fe  Fe50  1  0.857244  0.097257  0.364630  1
  Fe  Fe51  1  0.154535  0.956241  0.384537  1
  Fe  Fe52  1  0.389620  0.335861  0.355222  1
  Fe  Fe53  1  0.685680  0.197521  0.376136  1
  Fe  Fe54  1  0.980439  0.062286  0.398261  1
  Fe  Fe55  1  0.552488  0.459945  0.373784  1
  Fe  Fe56  1  0.848701  0.322404  0.394429  1
  Fe  Fe57  1  0.255183  0.599606  0.353178  1
  Fe  Fe58  1  0.522782  0.018577  0.375661  1
  Fe  Fe59  1  0.818669  0.880326  0.396781  1
  Fe  Fe60  1  0.225555  0.156305  0.354477  1
  Fe  Fe61  1  0.486647  0.308810  0.453160  1
  Fe  Fe62  1  0.783486  0.169766  0.473946  1
  Fe  Fe63  1  0.190156  0.448529  0.432440  1
  Fe  Fe64  1  0.267013  0.689906  0.453059  1
  Fe  Fe65  1  0.674174  0.968942  0.411703  1
  Fe  Fe66  1  0.970289  0.829877  0.431901  1
  Fe  Fe67  1  0.311767  0.956192  0.470295  1
  Fe  Fe68  1  0.718290  0.236232  0.428647  1
  Fe  Fe69  1  0.015134  0.096091  0.449477  1
  Fe  Fe70  1  0.302073  0.195828  0.434461  1
  Fe  Fe71  1  0.598924  0.056971  0.455334  1
  Fe  Fe72  1  0.005853  0.336216  0.413659  1
  Fe  Fe73  1  0.451855  0.802530  0.471711  1
  Fe  Fe74  1  0.858495  0.082165  0.430236  1
  Fe  Fe75  1  0.154795  0.942340  0.450758  1
  Fe  Fe76  1  0.586145  0.496845  0.425195  1
  Fe  Fe77  1  0.882993  0.357610  0.445828  1
  Fe  Fe78  1  0.179737  0.217560  0.466644  1
  Fe  Fe79  1  0.341397  0.398085  0.468179  1
  Fe  Fe80  1  0.748156  0.677826  0.426706  1
  Fe  Fe81  1  0.044777  0.537960  0.447312  1
  Fe  Fe82  1  0.277859  0.921132  0.418667  1
  Fe  Fe83  1  0.574226  0.781221  0.439504  1
  Fe  Fe84  1  0.870552  0.641935  0.460448  1
  Fe  Fe85  1  0.442545  0.041833  0.436065  1
  Fe  Fe86  1  0.738745  0.903102  0.456901  1
  Fe  Fe87  1  0.145717  0.181824  0.415087  1
  Fe  Fe88  1  0.412505  0.600635  0.438102  1
  Fe  Fe89  1  0.709182  0.461470  0.458898  1
  Fe  Fe90  1  0.116043  0.740214  0.417282  1
  Fe  Fe91  1  0.376568  0.890243  0.515564  1
  Fe  Fe92  1  0.673368  0.751225  0.536291  1
  Fe  Fe93  1  0.080085  0.030416  0.494805  1
  Fe  Fe94  1  0.157084  0.271323  0.515444  1
  Fe  Fe95  1  0.563802  0.550514  0.473958  1
  Fe  Fe96  1  0.860601  0.411496  0.494686  1
  Fe  Fe97  1  0.201933  0.537610  0.532813  1
  Fe  Fe98  1  0.608322  0.817572  0.491047  1
  Fe  Fe99  1  0.905067  0.677961  0.511855  1
  Fe  Fe100  1  0.192208  0.777707  0.496950  1
  Fe  Fe101  1  0.488924  0.638445  0.517668  1
  Fe  Fe102  1  0.895754  0.918029  0.476158  1
  Fe  Fe103  1  0.341415  0.383710  0.534091  1
  Fe  Fe104  1  0.748245  0.663294  0.492581  1
  Fe  Fe105  1  0.044962  0.524032  0.513299  1
  Fe  Fe106  1  0.476332  0.078320  0.487456  1
  Fe  Fe107  1  0.773180  0.939162  0.508296  1
  Fe  Fe108  1  0.069767  0.799027  0.529084  1
  Fe  Fe109  1  0.231222  0.979620  0.530545  1
  Fe  Fe110  1  0.638072  0.259056  0.488993  1
  Fe  Fe111  1  0.934847  0.119701  0.509783  1
  Fe  Fe112  1  0.167402  0.502712  0.481166  1
  Fe  Fe113  1  0.463989  0.362577  0.501954  1
  Fe  Fe114  1  0.760837  0.223419  0.522793  1
  Fe  Fe115  1  0.332102  0.623778  0.498394  1
  Fe  Fe116  1  0.628847  0.484167  0.519203  1
  Fe  Fe117  1  0.035237  0.764129  0.477437  1
  Fe  Fe118  1  0.302322  0.182038  0.500467  1
  Fe  Fe119  1  0.599098  0.042683  0.521256  1
  Fe  Fe120  1  0.005948  0.322119  0.479704  1
  Fe  Fe121  1  0.266881  0.471862  0.578349  1
  Fe  Fe122  1  0.562996  0.332797  0.598546  1
  Fe  Fe123  1  0.970156  0.611833  0.557190  1
  Fe  Fe124  1  0.047013  0.853210  0.577809  1
  Fe  Fe125  1  0.453684  0.131973  0.536303  1
  Fe  Fe126  1  0.750522  0.992929  0.557089  1
  Fe  Fe127  1  0.091453  0.119915  0.595162  1
  Fe  Fe128  1  0.498425  0.398637  0.553349  1
  Fe  Fe129  1  0.794625  0.259906  0.574184  1
  Fe  Fe130  1  0.082374  0.359399  0.559491  1
  Fe  Fe131  1  0.378674  0.219574  0.580013  1
  Fe  Fe132  1  0.785314  0.499209  0.538539  1
  Fe  Fe133  1  0.231317  0.965523  0.596591  1
  Fe  Fe134  1  0.638245  0.244768  0.554915  1
  Fe  Fe135  1  0.935096  0.105911  0.575788  1
  Fe  Fe136  1  0.366618  0.659804  0.549801  1
  Fe  Fe137  1  0.662943  0.520518  0.570745  1
  Fe  Fe138  1  0.959311  0.380607  0.591582  1
  Fe  Fe139  1  0.121126  0.561525  0.592967  1
  Fe  Fe140  1  0.527987  0.840269  0.551352  1
  Fe  Fe141  1  0.824664  0.701104  0.572147  1
  Fe  Fe142  1  0.057433  0.084179  0.543605  1
  Fe  Fe143  1  0.354177  0.944129  0.564421  1
  Fe  Fe144  1  0.651024  0.804894  0.585054  1
  Fe  Fe145  1  0.222035  0.205648  0.560773  1
  Fe  Fe146  1  0.518879  0.065507  0.581602  1
  Fe  Fe147  1  0.925403  0.345547  0.539954  1
  Fe  Fe148  1  0.192392  0.763779  0.562938  1
  Fe  Fe149  1  0.489014  0.623913  0.583544  1
  Fe  Fe150  1  0.895772  0.903654  0.542070  1
  Fe  Fe151  1  0.157424  0.055349  0.641261  1
  Fe  Fe152  1  0.453503  0.910310  0.660695  1
  Fe  Fe153  1  0.859929  0.193417  0.619317  1
  Fe  Fe154  1  0.937505  0.434489  0.640517  1
  Fe  Fe155  1  0.343431  0.713251  0.598473  1
  Fe  Fe156  1  0.640529  0.574679  0.619493  1
  Fe  Fe157  1  0.981986  0.702133  0.657072  1
  Fe  Fe158  1  0.388469  0.979335  0.615820  1
  Fe  Fe159  1  0.684681  0.841794  0.636465  1
  Fe  Fe160  1  0.971155  0.941462  0.621685  1
  Fe  Fe161  1  0.270918  0.800189  0.642225  1
  Fe  Fe162  1  0.674459  0.080585  0.600960  1
  Fe  Fe163  1  0.120947  0.547557  0.658944  1
  Fe  Fe164  1  0.528666  0.827153  0.617352  1
  Fe  Fe165  1  0.825232  0.688136  0.638156  1
  Fe  Fe166  1  0.256730  0.239453  0.611988  1
  Fe  Fe167  1  0.551490  0.104218  0.634113  1
  Fe  Fe168  1  0.847550  0.965878  0.655028  1
  Fe  Fe169  1  0.011615  0.145434  0.655773  1
  Fe  Fe170  1  0.418501  0.421413  0.613468  1
  Fe  Fe171  1  0.714388  0.283162  0.634588  1
  Fe  Fe172  1  0.947469  0.665753  0.605809  1
  Fe  Fe173  1  0.242768  0.526812  0.627315  1
  Fe  Fe174  1  0.542101  0.387253  0.647124  1
  Fe  Fe175  1  0.111847  0.787369  0.623178  1
  Fe  Fe176  1  0.409070  0.645903  0.644178  1
  Fe  Fe177  1  0.815647  0.927045  0.602462  1
  Fe  Fe178  1  0.082635  0.345498  0.625713  1
  Fe  Fe179  1  0.379925  0.204482  0.645620  1
  Fe  Fe180  1  0.785639  0.485283  0.604321  1
  Fe  Fe181  1  0.050861  0.642236  0.704098  1
  Fe  Fe182  1  0.342460  0.513038  0.726924  1
  Fe  Fe183  1  0.751246  0.773928  0.681743  1
  Fe  Fe184  1  0.833832  0.007905  0.706458  1
  Fe  Fe185  1  0.233249  0.295760  0.660630  1
  Fe  Fe186  1  0.533467  0.155529  0.683981  1
  Fe  Fe187  1  0.869928  0.296736  0.719925  1
  Fe  Fe188  1  0.283408  0.556446  0.678955  1
  Fe  Fe189  1  0.573673  0.426327  0.699613  1
  Fe  Fe190  1  0.862321  0.523913  0.683293  1
  Fe  Fe191  1  0.160769  0.383543  0.706455  1
  Fe  Fe192  1  0.564024  0.662983  0.663037  1
  Fe  Fe193  1  0.009212  0.146230  0.722722  1
  Fe  Fe194  1  0.417898  0.406417  0.679240  1
  Fe  Fe195  1  0.715144  0.269269  0.700809  1
  Fe  Fe196  1  0.145436  0.821869  0.674294  1
  Fe  Fe197  1  0.443470  0.692667  0.696907  1
  Fe  Fe198  1  0.738436  0.553263  0.717303  1
  Fe  Fe199  1  0.891983  0.724544  0.718546  1
  Fe  Fe200  1  0.307700  0.003141  0.674617  1
  Fe  Fe201  1  0.606981  0.866379  0.697891  1
  Fe  Fe202  1  0.838309  0.248181  0.667925  1
  Fe  Fe203  1  0.129220  0.105381  0.689961  1
  Fe  Fe204  1  0.427479  0.974494  0.710802  1
  Fe  Fe205  1  0.001539  0.369538  0.686074  1
  Fe  Fe206  1  0.302518  0.223218  0.705772  1
  Fe  Fe207  1  0.706418  0.508786  0.664833  1
  Fe  Fe208  1  0.973435  0.931048  0.687587  1
  Fe  Fe209  1  0.267364  0.784187  0.708830  1
  Fe  Fe210  1  0.676811  0.069585  0.666470  1
  C  C211  1  0.602400  0.007222  0.341108  1
  C  C212  1  0.009273  0.290172  0.301627  1
  C  C213  1  0.307092  0.146900  0.319986  1
  C  C214  1  0.773917  0.819663  0.293869  1
  C  C215  1  0.063286  0.680604  0.315062  1
  C  C216  1  0.360048  0.534537  0.333940  1
  C  C217  1  0.529583  0.276544  0.303106  1
  C  C218  1  0.830623  0.139540  0.324723  1
  C  C219  1  0.128772  0.995461  0.342425  1
  C  C220  1  0.591457  0.662505  0.315861  1
  C  C221  1  0.888153  0.524627  0.335655  1
  C  C222  1  0.294006  0.793098  0.295113  1
  C  C223  1  0.492262  0.590273  0.403853  1
  C  C224  1  0.898956  0.871820  0.362932  1
  C  C225  1  0.195854  0.730291  0.383218  1
  C  C226  1  0.657461  0.395754  0.354489  1
  C  C227  1  0.954791  0.258829  0.375733  1
  C  C228  1  0.251451  0.117645  0.396241  1
  C  C229  1  0.425426  0.856526  0.364563  1
  C  C230  1  0.722316  0.717288  0.385212  1
  C  C231  1  0.019161  0.578554  0.405652  1
  C  C232  1  0.481670  0.244491  0.377736  1
  C  C233  1  0.778106  0.106760  0.398547  1
  C  C234  1  0.185389  0.382913  0.356880  1
  C  C235  1  0.382263  0.171959  0.466236  1
  C  C236  1  0.789026  0.451764  0.424624  1
  C  C237  1  0.085708  0.311839  0.445502  1
  C  C238  1  0.548525  0.978775  0.417235  1
  C  C239  1  0.844983  0.839844  0.438265  1
  C  C240  1  0.141495  0.700139  0.458899  1
  C  C241  1  0.315693  0.438363  0.426628  1
  C  C242  1  0.612265  0.299434  0.447422  1
  C  C243  1  0.909068  0.160343  0.468110  1
  C  C244  1  0.371455  0.826636  0.440004  1
  C  C245  1  0.668074  0.687414  0.460813  1
  C  C246  1  0.074931  0.966220  0.418891  1
  C  C247  1  0.272256  0.753581  0.528755  1
  C  C248  1  0.679137  0.033082  0.487101  1
  C  C249  1  0.975790  0.893589  0.507953  1
  C  C250  1  0.438212  0.560183  0.479714  1
  C  C251  1  0.735018  0.420865  0.500525  1
  C  C252  1  0.031620  0.281760  0.521370  1
  C  C253  1  0.205550  0.019979  0.488879  1
  C  C254  1  0.502151  0.880874  0.509725  1
  C  C255  1  0.798957  0.741556  0.530535  1
  C  C256  1  0.261379  0.408150  0.502296  1
  C  C257  1  0.558032  0.268657  0.523148  1
  C  C258  1  0.964913  0.548158  0.481495  1
  C  C259  1  0.162239  0.335519  0.591358  1
  C  C260  1  0.569095  0.614325  0.549437  1
  C  C261  1  0.865714  0.475103  0.570245  1
  C  C262  1  0.328102  0.141396  0.542140  1
  C  C263  1  0.624905  0.002305  0.562827  1
  C  C264  1  0.921476  0.863376  0.583621  1
  C  C265  1  0.095674  0.601600  0.551351  1
  C  C266  1  0.392186  0.461895  0.571984  1
  C  C267  1  0.688644  0.322964  0.593014  1
  C  C268  1  0.151462  0.989900  0.564748  1
  C  C269  1  0.448144  0.849975  0.585626  1
  C  C270  1  0.854906  0.129780  0.544013  1
  C  C271  1  0.051780  0.918826  0.653369  1
  C  C272  1  0.459064  0.194979  0.611702  1
  C  C273  1  0.755499  0.057248  0.632514  1
  C  C274  1  0.218008  0.723185  0.604597  1
  C  C275  1  0.514853  0.584451  0.625037  1
  C  C276  1  0.811743  0.445213  0.645686  1
  C  C277  1  0.985719  0.184094  0.614009  1
  C  C278  1  0.282378  0.042910  0.634517  1
  C  C279  1  0.579709  0.905985  0.655760  1
  C  C280  1  0.041315  0.571448  0.627031  1
  C  C281  1  0.338213  0.429919  0.647318  1
  C  C282  1  0.744908  0.711466  0.606396  1
  C  C283  1  0.943164  0.508641  0.715136  1
  C  C284  1  0.349017  0.777112  0.674594  1
  C  C285  1  0.645713  0.639234  0.694388  1
  C  C286  1  0.108397  0.306278  0.667825  1
  C  C287  1  0.406546  0.162199  0.685527  1
  C  C288  1  0.707586  0.025195  0.707144  1
  C  C289  1  0.877122  0.767202  0.676309  1
  C  C290  1  0.173883  0.621135  0.695187  1
  C  C291  1  0.463253  0.482076  0.716380  1
  C  C292  1  0.930077  0.154839  0.690263  1
  C  C293  1  0.227897  0.011567  0.708622  1
  C  C294  1  0.634770  0.294517  0.669142  1
