# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.45246206
_cell_length_b   10.30146008
_cell_length_c   46.56742527
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.70121994
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe200 C80'
_cell_volume   4979.92039532
_cell_formula_units_Z   40
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  0.816134  0.244304  0.328896  1
  Fe  Fe2  1  0.834724  0.852851  0.283209  1
  Fe  Fe3  1  0.516986  0.490470  0.298665  1
  Fe  Fe4  1  0.502624  0.880969  0.344194  1
  Fe  Fe5  1  0.622182  0.553665  0.343152  1
  Fe  Fe6  1  0.634267  0.163271  0.297111  1
  Fe  Fe7  1  0.707233  0.654258  0.296561  1
  Fe  Fe8  1  0.695249  0.042427  0.341663  1
  Fe  Fe9  1  0.706911  0.409162  0.293901  1
  Fe  Fe10  1  0.695648  0.801666  0.338630  1
  Fe  Fe11  1  0.623528  0.309939  0.340539  1
  Fe  Fe12  1  0.637960  0.919880  0.294927  1
  Fe  Fe13  1  0.815082  0.473703  0.337906  1
  Fe  Fe14  1  0.821927  0.081374  0.291144  1
  Fe  Fe15  1  0.512610  0.718586  0.307813  1
  Fe  Fe16  1  0.501024  0.108633  0.353236  1
  Fe  Fe17  1  0.923585  0.430152  0.287749  1
  Fe  Fe18  1  0.910861  0.822051  0.332899  1
  Fe  Fe19  1  0.919204  0.642043  0.304214  1
  Fe  Fe20  1  0.905823  0.032273  0.349343  1
  Fe  Fe21  1  0.334724  0.352851  0.283209  1
  Fe  Fe22  1  0.316134  0.744304  0.328896  1
  Fe  Fe23  1  0.002624  0.380969  0.344194  1
  Fe  Fe24  1  0.016986  0.990470  0.298665  1
  Fe  Fe25  1  0.134267  0.663271  0.297111  1
  Fe  Fe26  1  0.122182  0.053665  0.343152  1
  Fe  Fe27  1  0.195249  0.542427  0.341663  1
  Fe  Fe28  1  0.207233  0.154258  0.296561  1
  Fe  Fe29  1  0.195648  0.301666  0.338630  1
  Fe  Fe30  1  0.206911  0.909162  0.293901  1
  Fe  Fe31  1  0.137960  0.419880  0.294927  1
  Fe  Fe32  1  0.123528  0.809939  0.340539  1
  Fe  Fe33  1  0.321927  0.581374  0.291144  1
  Fe  Fe34  1  0.315082  0.973703  0.337906  1
  Fe  Fe35  1  0.001024  0.608633  0.353236  1
  Fe  Fe36  1  0.012610  0.218586  0.307813  1
  Fe  Fe37  1  0.410861  0.322051  0.332899  1
  Fe  Fe38  1  0.423585  0.930152  0.287749  1
  Fe  Fe39  1  0.405823  0.532273  0.349343  1
  Fe  Fe40  1  0.419204  0.142043  0.304214  1
  Fe  Fe41  1  0.789405  0.026348  0.419522  1
  Fe  Fe42  1  0.803179  0.635475  0.374244  1
  Fe  Fe43  1  0.489177  0.271099  0.389758  1
  Fe  Fe44  1  0.475629  0.661617  0.435188  1
  Fe  Fe45  1  0.594884  0.334350  0.433935  1
  Fe  Fe46  1  0.608647  0.943824  0.388434  1
  Fe  Fe47  1  0.680507  0.433947  0.387350  1
  Fe  Fe48  1  0.666861  0.824474  0.432790  1
  Fe  Fe49  1  0.681705  0.191000  0.384472  1
  Fe  Fe50  1  0.668111  0.581774  0.429846  1
  Fe  Fe51  1  0.596055  0.091782  0.430981  1
  Fe  Fe52  1  0.609623  0.701483  0.385520  1
  Fe  Fe53  1  0.787542  0.254509  0.428597  1
  Fe  Fe54  1  0.800783  0.863817  0.383040  1
  Fe  Fe55  1  0.487020  0.499739  0.398765  1
  Fe  Fe56  1  0.473558  0.889931  0.444196  1
  Fe  Fe57  1  0.898271  0.212169  0.378005  1
  Fe  Fe58  1  0.884495  0.603012  0.423359  1
  Fe  Fe59  1  0.892306  0.422862  0.394934  1
  Fe  Fe60  1  0.878635  0.813172  0.440365  1
  Fe  Fe61  1  0.303179  0.135475  0.374244  1
  Fe  Fe62  1  0.289405  0.526348  0.419522  1
  Fe  Fe63  1  0.975629  0.161617  0.435188  1
  Fe  Fe64  1  0.989177  0.771099  0.389758  1
  Fe  Fe65  1  0.108647  0.443824  0.388434  1
  Fe  Fe66  1  0.094884  0.834350  0.433935  1
  Fe  Fe67  1  0.166861  0.324474  0.432790  1
  Fe  Fe68  1  0.180507  0.933947  0.387350  1
  Fe  Fe69  1  0.168111  0.081774  0.429846  1
  Fe  Fe70  1  0.181705  0.691000  0.384472  1
  Fe  Fe71  1  0.109623  0.201483  0.385520  1
  Fe  Fe72  1  0.096055  0.591782  0.430981  1
  Fe  Fe73  1  0.300783  0.363817  0.383040  1
  Fe  Fe74  1  0.287542  0.754509  0.428597  1
  Fe  Fe75  1  0.973558  0.389931  0.444196  1
  Fe  Fe76  1  0.987020  0.999739  0.398765  1
  Fe  Fe77  1  0.384495  0.103012  0.423359  1
  Fe  Fe78  1  0.398271  0.712169  0.378005  1
  Fe  Fe79  1  0.378635  0.313172  0.440365  1
  Fe  Fe80  1  0.392306  0.922862  0.394934  1
  Fe  Fe81  1  0.762099  0.806960  0.510494  1
  Fe  Fe82  1  0.775777  0.416468  0.465054  1
  Fe  Fe83  1  0.461849  0.051935  0.480631  1
  Fe  Fe84  1  0.448218  0.442278  0.526069  1
  Fe  Fe85  1  0.567644  0.115080  0.524836  1
  Fe  Fe86  1  0.581290  0.724745  0.479396  1
  Fe  Fe87  1  0.653349  0.214619  0.478208  1
  Fe  Fe88  1  0.639618  0.605143  0.523658  1
  Fe  Fe89  1  0.654383  0.972122  0.475290  1
  Fe  Fe90  1  0.640737  0.362458  0.520730  1
  Fe  Fe91  1  0.568678  0.872583  0.521918  1
  Fe  Fe92  1  0.582409  0.482060  0.476468  1
  Fe  Fe93  1  0.760179  0.035268  0.519495  1
  Fe  Fe94  1  0.773810  0.644925  0.474057  1
  Fe  Fe95  1  0.459928  0.280243  0.489633  1
  Fe  Fe96  1  0.446251  0.670735  0.535072  1
  Fe  Fe97  1  0.870710  0.993288  0.468885  1
  Fe  Fe98  1  0.857078  0.383710  0.514333  1
  Fe  Fe99  1  0.864949  0.203493  0.485793  1
  Fe  Fe100  1  0.851318  0.593914  0.531241  1
  Fe  Fe101  1  0.275777  0.916468  0.465054  1
  Fe  Fe102  1  0.262099  0.306960  0.510494  1
  Fe  Fe103  1  0.948218  0.942278  0.526069  1
  Fe  Fe104  1  0.961849  0.551935  0.480631  1
  Fe  Fe105  1  0.081290  0.224745  0.479396  1
  Fe  Fe106  1  0.067644  0.615080  0.524836  1
  Fe  Fe107  1  0.139618  0.105143  0.523658  1
  Fe  Fe108  1  0.153349  0.714619  0.478208  1
  Fe  Fe109  1  0.140737  0.862458  0.520730  1
  Fe  Fe110  1  0.154383  0.472122  0.475290  1
  Fe  Fe111  1  0.082409  0.982060  0.476468  1
  Fe  Fe112  1  0.068678  0.372583  0.521918  1
  Fe  Fe113  1  0.273810  0.144925  0.474057  1
  Fe  Fe114  1  0.260179  0.535268  0.519495  1
  Fe  Fe115  1  0.946251  0.170735  0.535072  1
  Fe  Fe116  1  0.959928  0.780243  0.489633  1
  Fe  Fe117  1  0.357078  0.883710  0.514333  1
  Fe  Fe118  1  0.370710  0.493288  0.468885  1
  Fe  Fe119  1  0.351318  0.093914  0.531241  1
  Fe  Fe120  1  0.364949  0.703493  0.485793  1
  Fe  Fe121  1  0.735007  0.587463  0.601362  1
  Fe  Fe122  1  0.748469  0.197272  0.555930  1
  Fe  Fe123  1  0.434485  0.832694  0.571529  1
  Fe  Fe124  1  0.421245  0.223386  0.617086  1
  Fe  Fe125  1  0.540322  0.896203  0.615654  1
  Fe  Fe126  1  0.553916  0.505429  0.570280  1
  Fe  Fe127  1  0.625972  0.995421  0.569145  1
  Fe  Fe128  1  0.612404  0.385720  0.614606  1
  Fe  Fe129  1  0.627143  0.752853  0.566191  1
  Fe  Fe130  1  0.613380  0.143378  0.611693  1
  Fe  Fe131  1  0.541520  0.653256  0.612776  1
  Fe  Fe132  1  0.555166  0.262729  0.567337  1
  Fe  Fe133  1  0.732850  0.816103  0.610369  1
  Fe  Fe134  1  0.746399  0.425585  0.564938  1
  Fe  Fe135  1  0.432623  0.060855  0.580604  1
  Fe  Fe136  1  0.418848  0.451728  0.625882  1
  Fe  Fe137  1  0.843392  0.774030  0.559761  1
  Fe  Fe138  1  0.829721  0.164341  0.605193  1
  Fe  Fe139  1  0.837532  0.984191  0.576767  1
  Fe  Fe140  1  0.823756  0.375034  0.622121  1
  Fe  Fe141  1  0.248469  0.697272  0.555930  1
  Fe  Fe142  1  0.235007  0.087463  0.601362  1
  Fe  Fe143  1  0.921245  0.723386  0.617086  1
  Fe  Fe144  1  0.934485  0.332694  0.571529  1
  Fe  Fe145  1  0.053916  0.005429  0.570280  1
  Fe  Fe146  1  0.040322  0.396203  0.615654  1
  Fe  Fe147  1  0.112404  0.885720  0.614606  1
  Fe  Fe148  1  0.125972  0.495421  0.569145  1
  Fe  Fe149  1  0.113380  0.643378  0.611693  1
  Fe  Fe150  1  0.127143  0.252853  0.566191  1
  Fe  Fe151  1  0.055166  0.762729  0.567337  1
  Fe  Fe152  1  0.041520  0.153256  0.612776  1
  Fe  Fe153  1  0.246399  0.925585  0.564938  1
  Fe  Fe154  1  0.232850  0.316103  0.610369  1
  Fe  Fe155  1  0.918848  0.951728  0.625882  1
  Fe  Fe156  1  0.932623  0.560855  0.580604  1
  Fe  Fe157  1  0.329721  0.664341  0.605193  1
  Fe  Fe158  1  0.343392  0.274030  0.559761  1
  Fe  Fe159  1  0.323756  0.875034  0.622121  1
  Fe  Fe160  1  0.337532  0.484191  0.576767  1
  Fe  Fe161  1  0.709417  0.368617  0.692313  1
  Fe  Fe162  1  0.721003  0.978570  0.646891  1
  Fe  Fe163  1  0.406945  0.613499  0.662221  1
  Fe  Fe164  1  0.400100  0.005829  0.708982  1
  Fe  Fe165  1  0.515116  0.678041  0.706225  1
  Fe  Fe166  1  0.526379  0.285537  0.661496  1
  Fe  Fe167  1  0.598499  0.777264  0.659587  1
  Fe  Fe168  1  0.584067  0.167322  0.705200  1
  Fe  Fe169  1  0.599846  0.533537  0.656974  1
  Fe  Fe170  1  0.587761  0.923932  0.703016  1
  Fe  Fe171  1  0.514794  0.432944  0.703565  1
  Fe  Fe172  1  0.526779  0.044776  0.658463  1
  Fe  Fe173  1  0.705041  0.596733  0.701461  1
  Fe  Fe174  1  0.719404  0.206234  0.655932  1
  Fe  Fe175  1  0.405893  0.842898  0.671231  1
  Fe  Fe176  1  0.387303  0.234352  0.716917  1
  Fe  Fe177  1  0.816204  0.554930  0.650783  1
  Fe  Fe178  1  0.802823  0.945160  0.695912  1
  Fe  Fe179  1  0.811166  0.765152  0.667227  1
  Fe  Fe180  1  0.798442  0.157051  0.712377  1
  Fe  Fe181  1  0.221003  0.478570  0.646891  1
  Fe  Fe182  1  0.209417  0.868617  0.692313  1
  Fe  Fe183  1  0.900100  0.505829  0.708982  1
  Fe  Fe184  1  0.906945  0.113499  0.662221  1
  Fe  Fe185  1  0.026379  0.785537  0.661496  1
  Fe  Fe186  1  0.015116  0.178041  0.706225  1
  Fe  Fe187  1  0.084067  0.667322  0.705200  1
  Fe  Fe188  1  0.098499  0.277264  0.659587  1
  Fe  Fe189  1  0.087761  0.423932  0.703016  1
  Fe  Fe190  1  0.099846  0.033537  0.656974  1
  Fe  Fe191  1  0.026779  0.544776  0.658463  1
  Fe  Fe192  1  0.014794  0.932944  0.703565  1
  Fe  Fe193  1  0.219404  0.706234  0.655932  1
  Fe  Fe194  1  0.205041  0.096733  0.701461  1
  Fe  Fe195  1  0.887303  0.734352  0.716917  1
  Fe  Fe196  1  0.905893  0.342898  0.671231  1
  Fe  Fe197  1  0.302823  0.445160  0.695912  1
  Fe  Fe198  1  0.316204  0.054930  0.650783  1
  Fe  Fe199  1  0.298442  0.657051  0.712377  1
  Fe  Fe200  1  0.311166  0.265152  0.667227  1
  C  C201  1  0.539510  0.309417  0.303829  1
  C  C202  1  0.526087  0.699784  0.348728  1
  C  C203  1  0.808210  0.548301  0.273840  1
  C  C204  1  0.796811  0.939837  0.318210  1
  C  C205  1  0.790802  0.654657  0.333328  1
  C  C206  1  0.804666  0.264559  0.287995  1
  C  C207  1  0.521458  0.414530  0.363342  1
  C  C208  1  0.535612  0.024144  0.317729  1
  C  C209  1  0.026087  0.199784  0.348728  1
  C  C210  1  0.039510  0.809417  0.303829  1
  C  C211  1  0.296811  0.439837  0.318210  1
  C  C212  1  0.308210  0.048301  0.273840  1
  C  C213  1  0.304666  0.764559  0.287995  1
  C  C214  1  0.290802  0.154657  0.333328  1
  C  C215  1  0.035612  0.524144  0.317729  1
  C  C216  1  0.021458  0.914530  0.363342  1
  C  C217  1  0.512598  0.089849  0.394180  1
  C  C218  1  0.498773  0.480336  0.439691  1
  C  C219  1  0.782344  0.330172  0.364277  1
  C  C220  1  0.768555  0.720986  0.409616  1
  C  C221  1  0.764202  0.435753  0.424122  1
  C  C222  1  0.777863  0.045160  0.378573  1
  C  C223  1  0.494426  0.195221  0.454187  1
  C  C224  1  0.508132  0.804946  0.408751  1
  C  C225  1  0.998773  0.980336  0.439691  1
  C  C226  1  0.012598  0.589849  0.394180  1
  C  C227  1  0.268555  0.220986  0.409616  1
  C  C228  1  0.282344  0.830172  0.364277  1
  C  C229  1  0.277863  0.545160  0.378573  1
  C  C230  1  0.264202  0.935753  0.424122  1
  C  C231  1  0.008132  0.304946  0.408751  1
  C  C232  1  0.994426  0.695221  0.454187  1
  C  C233  1  0.485096  0.870681  0.485131  1
  C  C234  1  0.471450  0.261018  0.530568  1
  C  C235  1  0.754906  0.111097  0.455004  1
  C  C236  1  0.741254  0.501575  0.500486  1
  C  C237  1  0.736931  0.216522  0.514995  1
  C  C238  1  0.750577  0.826185  0.469558  1
  C  C239  1  0.467121  0.976106  0.545122  1
  C  C240  1  0.480773  0.585628  0.499640  1
  C  C241  1  0.971450  0.761018  0.530568  1
  C  C242  1  0.985096  0.370681  0.485131  1
  C  C243  1  0.241254  0.001575  0.500486  1
  C  C244  1  0.254906  0.611097  0.455004  1
  C  C245  1  0.250577  0.326185  0.469558  1
  C  C246  1  0.236931  0.716522  0.514995  1
  C  C247  1  0.980773  0.085628  0.499640  1
  C  C248  1  0.967121  0.476106  0.545122  1
  C  C249  1  0.457825  0.651450  0.576004  1
  C  C250  1  0.444164  0.042043  0.621553  1
  C  C251  1  0.727601  0.891982  0.545939  1
  C  C252  1  0.713896  0.282257  0.591375  1
  C  C253  1  0.709429  0.997354  0.605946  1
  C  C254  1  0.723254  0.606867  0.560436  1
  C  C255  1  0.439684  0.757030  0.635849  1
  C  C256  1  0.453473  0.366217  0.590511  1
  C  C257  1  0.944164  0.542043  0.621553  1
  C  C258  1  0.957825  0.151450  0.576004  1
  C  C259  1  0.213896  0.782257  0.591375  1
  C  C260  1  0.227601  0.391982  0.545939  1
  C  C261  1  0.223254  0.106867  0.560436  1
  C  C262  1  0.209429  0.497354  0.605946  1
  C  C263  1  0.953473  0.866217  0.590511  1
  C  C264  1  0.939684  0.257030  0.635849  1
  C  C265  1  0.431226  0.432546  0.666798  1
  C  C266  1  0.417361  0.822644  0.712131  1
  C  C267  1  0.700569  0.672673  0.636784  1
  C  C268  1  0.686415  0.063059  0.682397  1
  C  C269  1  0.682517  0.777786  0.696297  1
  C  C270  1  0.695940  0.387419  0.651398  1
  C  C271  1  0.413817  0.538902  0.726287  1
  C  C272  1  0.425216  0.147366  0.681916  1
  C  C273  1  0.917361  0.322644  0.712131  1
  C  C274  1  0.931226  0.932546  0.666798  1
  C  C275  1  0.186415  0.563059  0.682397  1
  C  C276  1  0.200569  0.172673  0.636784  1
  C  C277  1  0.195940  0.887419  0.651398  1
  C  C278  1  0.182517  0.277786  0.696297  1
  C  C279  1  0.925216  0.647366  0.681916  1
  C  C280  1  0.913817  0.038902  0.726287  1
