# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.30759975
_cell_length_b   10.44581424
_cell_length_c   46.54748793
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.42868008
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe200 C80'
_cell_volume   4978.90041512
_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  0.274055  0.735076  0.284822  1
  Fe  Fe2  1  0.774055  0.235076  0.284822  1
  Fe  Fe3  1  0.663014  0.752575  0.330601  1
  Fe  Fe4  1  0.163014  0.252575  0.330601  1
  Fe  Fe5  1  0.689705  0.949046  0.351323  1
  Fe  Fe6  1  0.189705  0.449046  0.351323  1
  Fe  Fe7  1  0.297922  0.935827  0.305549  1
  Fe  Fe8  1  0.797922  0.435827  0.305549  1
  Fe  Fe9  1  0.863716  0.629191  0.317778  1
  Fe  Fe10  1  0.363716  0.129191  0.317778  1
  Fe  Fe11  1  0.255830  0.643054  0.362604  1
  Fe  Fe12  1  0.755830  0.143054  0.362604  1
  Fe  Fe13  1  0.107501  0.630545  0.320081  1
  Fe  Fe14  1  0.607501  0.130545  0.320081  1
  Fe  Fe15  1  0.716008  0.613790  0.275289  1
  Fe  Fe16  1  0.216008  0.113790  0.275289  1
  Fe  Fe17  1  0.854509  0.057475  0.316662  1
  Fe  Fe18  1  0.354509  0.557475  0.316662  1
  Fe  Fe19  1  0.247116  0.069479  0.361185  1
  Fe  Fe20  1  0.747116  0.569479  0.361185  1
  Fe  Fe21  1  0.040960  0.741511  0.275782  1
  Fe  Fe22  1  0.540960  0.241511  0.275782  1
  Fe  Fe23  1  0.435262  0.748790  0.321790  1
  Fe  Fe24  1  0.935262  0.248790  0.321790  1
  Fe  Fe25  1  0.087186  0.846681  0.326547  1
  Fe  Fe26  1  0.587186  0.346681  0.326547  1
  Fe  Fe27  1  0.697498  0.831234  0.281434  1
  Fe  Fe28  1  0.197498  0.331234  0.281434  1
  Fe  Fe29  1  0.918759  0.951119  0.360446  1
  Fe  Fe30  1  0.418759  0.451119  0.360446  1
  Fe  Fe31  1  0.526590  0.941214  0.313593  1
  Fe  Fe32  1  0.026590  0.441214  0.313593  1
  Fe  Fe33  1  0.098381  0.058581  0.319151  1
  Fe  Fe34  1  0.598381  0.558581  0.319151  1
  Fe  Fe35  1  0.708138  0.043037  0.273461  1
  Fe  Fe36  1  0.208138  0.543037  0.273461  1
  Fe  Fe37  1  0.875702  0.840006  0.309516  1
  Fe  Fe38  1  0.375702  0.340006  0.309516  1
  Fe  Fe39  1  0.267509  0.854344  0.355075  1
  Fe  Fe40  1  0.767509  0.354344  0.355075  1
  Fe  Fe41  1  0.054632  0.764604  0.375939  1
  Fe  Fe42  1  0.554632  0.264604  0.375939  1
  Fe  Fe43  1  0.444787  0.778431  0.421398  1
  Fe  Fe44  1  0.944787  0.278431  0.421398  1
  Fe  Fe45  1  0.471291  0.975936  0.442157  1
  Fe  Fe46  1  0.971291  0.475936  0.442157  1
  Fe  Fe47  1  0.080433  0.962496  0.396811  1
  Fe  Fe48  1  0.580433  0.462496  0.396811  1
  Fe  Fe49  1  0.646122  0.655635  0.408342  1
  Fe  Fe50  1  0.146122  0.155635  0.408342  1
  Fe  Fe51  1  0.036766  0.669300  0.453671  1
  Fe  Fe52  1  0.536766  0.169300  0.453671  1
  Fe  Fe53  1  0.888959  0.656940  0.411144  1
  Fe  Fe54  1  0.388959  0.156940  0.411144  1
  Fe  Fe55  1  0.498444  0.643689  0.365671  1
  Fe  Fe56  1  0.998444  0.143689  0.365671  1
  Fe  Fe57  1  0.636150  0.083986  0.407050  1
  Fe  Fe58  1  0.136150  0.583986  0.407050  1
  Fe  Fe59  1  0.027120  0.097062  0.452444  1
  Fe  Fe60  1  0.527120  0.597062  0.452444  1
  Fe  Fe61  1  0.825954  0.763111  0.366944  1
  Fe  Fe62  1  0.325954  0.263111  0.366944  1
  Fe  Fe63  1  0.216378  0.776144  0.412396  1
  Fe  Fe64  1  0.716378  0.276144  0.412396  1
  Fe  Fe65  1  0.868007  0.873356  0.417453  1
  Fe  Fe66  1  0.368007  0.373356  0.417453  1
  Fe  Fe67  1  0.477521  0.859737  0.371938  1
  Fe  Fe68  1  0.977521  0.359737  0.371938  1
  Fe  Fe69  1  0.699456  0.978096  0.451191  1
  Fe  Fe70  1  0.199456  0.478096  0.451191  1
  Fe  Fe71  1  0.308839  0.964868  0.405629  1
  Fe  Fe72  1  0.808839  0.464868  0.405629  1
  Fe  Fe73  1  0.879203  0.084995  0.409934  1
  Fe  Fe74  1  0.379203  0.584995  0.409934  1
  Fe  Fe75  1  0.487784  0.070914  0.364333  1
  Fe  Fe76  1  0.987784  0.570914  0.364333  1
  Fe  Fe77  1  0.657447  0.867713  0.400686  1
  Fe  Fe78  1  0.157447  0.367713  0.400686  1
  Fe  Fe79  1  0.047868  0.881039  0.446132  1
  Fe  Fe80  1  0.547868  0.381039  0.446132  1
  Fe  Fe81  1  0.835333  0.791802  0.466862  1
  Fe  Fe82  1  0.335333  0.291802  0.466862  1
  Fe  Fe83  1  0.225837  0.805130  0.512312  1
  Fe  Fe84  1  0.725837  0.305130  0.512312  1
  Fe  Fe85  1  0.252041  0.002826  0.533126  1
  Fe  Fe86  1  0.752041  0.502826  0.533126  1
  Fe  Fe87  1  0.861538  0.989499  0.487675  1
  Fe  Fe88  1  0.361538  0.489499  0.487675  1
  Fe  Fe89  1  0.427310  0.682807  0.499148  1
  Fe  Fe90  1  0.927310  0.182807  0.499148  1
  Fe  Fe91  1  0.817654  0.696210  0.544593  1
  Fe  Fe92  1  0.317654  0.196210  0.544593  1
  Fe  Fe93  1  0.669931  0.683949  0.502062  1
  Fe  Fe94  1  0.169931  0.183949  0.502062  1
  Fe  Fe95  1  0.279453  0.670519  0.456587  1
  Fe  Fe96  1  0.779453  0.170519  0.456587  1
  Fe  Fe97  1  0.417443  0.110679  0.497925  1
  Fe  Fe98  1  0.917443  0.610679  0.497925  1
  Fe  Fe99  1  0.807921  0.124109  0.543401  1
  Fe  Fe100  1  0.307921  0.624109  0.543401  1
  Fe  Fe101  1  0.606985  0.789606  0.457862  1
  Fe  Fe102  1  0.106985  0.289606  0.457862  1
  Fe  Fe103  1  0.997383  0.803122  0.503313  1
  Fe  Fe104  1  0.497383  0.303122  0.503313  1
  Fe  Fe105  1  0.649011  0.900161  0.508392  1
  Fe  Fe106  1  0.149011  0.400161  0.508392  1
  Fe  Fe107  1  0.258649  0.886563  0.462937  1
  Fe  Fe108  1  0.758649  0.386563  0.462937  1
  Fe  Fe109  1  0.480389  0.005023  0.542126  1
  Fe  Fe110  1  0.980389  0.505023  0.542126  1
  Fe  Fe111  1  0.089992  0.991506  0.496675  1
  Fe  Fe112  1  0.589992  0.491506  0.496675  1
  Fe  Fe113  1  0.660064  0.111821  0.500839  1
  Fe  Fe114  1  0.160064  0.611821  0.500839  1
  Fe  Fe115  1  0.269720  0.098418  0.455394  1
  Fe  Fe116  1  0.769720  0.598418  0.455394  1
  Fe  Fe117  1  0.438363  0.894467  0.491596  1
  Fe  Fe118  1  0.938363  0.394467  0.491596  1
  Fe  Fe119  1  0.828725  0.908066  0.537050  1
  Fe  Fe120  1  0.328725  0.408066  0.537050  1
  Fe  Fe121  1  0.616083  0.818692  0.557830  1
  Fe  Fe122  1  0.116083  0.318692  0.557830  1
  Fe  Fe123  1  0.006941  0.832132  0.603177  1
  Fe  Fe124  1  0.506941  0.332132  0.603177  1
  Fe  Fe125  1  0.032743  0.030025  0.624049  1
  Fe  Fe126  1  0.532743  0.530025  0.624049  1
  Fe  Fe127  1  0.642587  0.016198  0.578589  1
  Fe  Fe128  1  0.142587  0.516198  0.578589  1
  Fe  Fe129  1  0.208172  0.709633  0.590053  1
  Fe  Fe130  1  0.708172  0.209633  0.590053  1
  Fe  Fe131  1  0.599591  0.723714  0.635655  1
  Fe  Fe132  1  0.099591  0.223714  0.635655  1
  Fe  Fe133  1  0.451224  0.710643  0.592937  1
  Fe  Fe134  1  0.951224  0.210643  0.592937  1
  Fe  Fe135  1  0.060254  0.697567  0.547543  1
  Fe  Fe136  1  0.560254  0.197567  0.547543  1
  Fe  Fe137  1  0.198415  0.137689  0.588843  1
  Fe  Fe138  1  0.698415  0.637689  0.588843  1
  Fe  Fe139  1  0.588930  0.150940  0.634316  1
  Fe  Fe140  1  0.088930  0.650940  0.634316  1
  Fe  Fe141  1  0.387919  0.816533  0.548796  1
  Fe  Fe142  1  0.887919  0.316533  0.548796  1
  Fe  Fe143  1  0.778535  0.829760  0.594359  1
  Fe  Fe144  1  0.278535  0.329760  0.594359  1
  Fe  Fe145  1  0.429927  0.926915  0.599302  1
  Fe  Fe146  1  0.929927  0.426915  0.599302  1
  Fe  Fe147  1  0.039506  0.913590  0.553855  1
  Fe  Fe148  1  0.539506  0.413590  0.553855  1
  Fe  Fe149  1  0.261420  0.031517  0.633043  1
  Fe  Fe150  1  0.761420  0.531517  0.633043  1
  Fe  Fe151  1  0.870996  0.018484  0.587591  1
  Fe  Fe152  1  0.370996  0.518484  0.587591  1
  Fe  Fe153  1  0.441253  0.138993  0.591645  1
  Fe  Fe154  1  0.941253  0.638993  0.591645  1
  Fe  Fe155  1  0.050608  0.125328  0.546317  1
  Fe  Fe156  1  0.550608  0.625328  0.546317  1
  Fe  Fe157  1  0.219367  0.921272  0.582534  1
  Fe  Fe158  1  0.719367  0.421272  0.582534  1
  Fe  Fe159  1  0.609854  0.934892  0.628050  1
  Fe  Fe160  1  0.109854  0.434892  0.628050  1
  Fe  Fe161  1  0.397669  0.845582  0.648664  1
  Fe  Fe162  1  0.897669  0.345582  0.648664  1
  Fe  Fe163  1  0.789452  0.858801  0.694439  1
  Fe  Fe164  1  0.289452  0.358801  0.694439  1
  Fe  Fe165  1  0.813320  0.059552  0.715165  1
  Fe  Fe166  1  0.313320  0.559552  0.715165  1
  Fe  Fe167  1  0.424360  0.042054  0.669386  1
  Fe  Fe168  1  0.924360  0.542054  0.669386  1
  Fe  Fe169  1  0.988993  0.736048  0.680837  1
  Fe  Fe170  1  0.488993  0.236048  0.680837  1
  Fe  Fe171  1  0.379236  0.751591  0.726526  1
  Fe  Fe172  1  0.879236  0.251591  0.726526  1
  Fe  Fe173  1  0.232865  0.737153  0.683325  1
  Fe  Fe174  1  0.732865  0.237153  0.683325  1
  Fe  Fe175  1  0.840258  0.725149  0.638802  1
  Fe  Fe176  1  0.340258  0.225149  0.638802  1
  Fe  Fe177  1  0.979873  0.164083  0.679906  1
  Fe  Fe178  1  0.479873  0.664083  0.679906  1
  Fe  Fe179  1  0.371366  0.180839  0.724698  1
  Fe  Fe180  1  0.871366  0.680839  0.724698  1
  Fe  Fe181  1  0.168615  0.843510  0.639541  1
  Fe  Fe182  1  0.668615  0.343510  0.639541  1
  Fe  Fe183  1  0.560784  0.853414  0.686395  1
  Fe  Fe184  1  0.060784  0.353414  0.686395  1
  Fe  Fe185  1  0.211673  0.954622  0.690471  1
  Fe  Fe186  1  0.711673  0.454622  0.690471  1
  Fe  Fe187  1  0.819865  0.940285  0.644913  1
  Fe  Fe188  1  0.319865  0.440285  0.644913  1
  Fe  Fe189  1  0.046415  0.053117  0.724205  1
  Fe  Fe190  1  0.546415  0.553117  0.724205  1
  Fe  Fe191  1  0.652112  0.045839  0.678197  1
  Fe  Fe192  1  0.152112  0.545839  0.678197  1
  Fe  Fe193  1  0.223659  0.165438  0.682209  1
  Fe  Fe194  1  0.723659  0.665438  0.682209  1
  Fe  Fe195  1  0.831544  0.151574  0.637383  1
  Fe  Fe196  1  0.331544  0.651574  0.637383  1
  Fe  Fe197  1  0.000188  0.947947  0.673441  1
  Fe  Fe198  1  0.500188  0.447947  0.673441  1
  Fe  Fe199  1  0.389876  0.963394  0.718554  1
  Fe  Fe200  1  0.889876  0.463394  0.718554  1
  C  C201  1  0.969124  0.731028  0.340483  1
  C  C202  1  0.469124  0.231028  0.340483  1
  C  C203  1  0.577957  0.716924  0.295220  1
  C  C204  1  0.077957  0.216924  0.295220  1
  C  C205  1  0.099942  0.974335  0.355873  1
  C  C206  1  0.599942  0.474335  0.355873  1
  C  C207  1  0.709280  0.960696  0.310387  1
  C  C208  1  0.209280  0.460696  0.310387  1
  C  C209  1  0.862168  0.710204  0.280702  1
  C  C210  1  0.362168  0.210204  0.280702  1
  C  C211  1  0.253578  0.726706  0.325793  1
  C  C212  1  0.753578  0.226706  0.325793  1
  C  C213  1  0.993060  0.957623  0.296197  1
  C  C214  1  0.493060  0.457623  0.296197  1
  C  C215  1  0.385643  0.969165  0.340765  1
  C  C216  1  0.885643  0.469165  0.340765  1
  C  C217  1  0.750166  0.757481  0.431405  1
  C  C218  1  0.250166  0.257481  0.431405  1
  C  C219  1  0.359592  0.744059  0.385948  1
  C  C220  1  0.859592  0.244059  0.385948  1
  C  C221  1  0.880690  0.001300  0.446724  1
  C  C222  1  0.380690  0.501300  0.446724  1
  C  C223  1  0.490167  0.987758  0.401197  1
  C  C224  1  0.990167  0.487758  0.401197  1
  C  C225  1  0.644974  0.739160  0.371543  1
  C  C226  1  0.144974  0.239160  0.371543  1
  C  C227  1  0.035132  0.753016  0.416882  1
  C  C228  1  0.535132  0.253016  0.416882  1
  C  C229  1  0.775010  0.983862  0.386731  1
  C  C230  1  0.275010  0.483862  0.386731  1
  C  C231  1  0.166097  0.996611  0.432218  1
  C  C232  1  0.666097  0.496611  0.432218  1
  C  C233  1  0.531119  0.784348  0.522347  1
  C  C234  1  0.031119  0.284348  0.522347  1
  C  C235  1  0.140578  0.770862  0.476863  1
  C  C236  1  0.640578  0.270862  0.476863  1
  C  C237  1  0.661616  0.028220  0.537640  1
  C  C238  1  0.161616  0.528220  0.537640  1
  C  C239  1  0.271225  0.014662  0.492177  1
  C  C240  1  0.771225  0.514662  0.492177  1
  C  C241  1  0.425758  0.766408  0.462347  1
  C  C242  1  0.925758  0.266408  0.462347  1
  C  C243  1  0.816149  0.779966  0.507811  1
  C  C244  1  0.316149  0.279966  0.507811  1
  C  C245  1  0.556255  0.010280  0.477641  1
  C  C246  1  0.056255  0.510280  0.477641  1
  C  C247  1  0.946797  0.023767  0.523125  1
  C  C248  1  0.446797  0.523767  0.523125  1
  C  C249  1  0.312365  0.810766  0.613257  1
  C  C250  1  0.812365  0.310766  0.613257  1
  C  C251  1  0.921277  0.798018  0.567770  1
  C  C252  1  0.421277  0.298018  0.567770  1
  C  C253  1  0.442400  0.055468  0.628445  1
  C  C254  1  0.942400  0.555468  0.628445  1
  C  C255  1  0.052243  0.041613  0.583106  1
  C  C256  1  0.552243  0.541613  0.583106  1
  C  C257  1  0.206684  0.793328  0.553263  1
  C  C258  1  0.706684  0.293328  0.553263  1
  C  C259  1  0.597208  0.806870  0.598790  1
  C  C260  1  0.097208  0.306870  0.598790  1
  C  C261  1  0.337208  0.037148  0.568583  1
  C  C262  1  0.837208  0.537148  0.568583  1
  C  C263  1  0.727782  0.050570  0.614039  1
  C  C264  1  0.227782  0.550570  0.614039  1
  C  C265  1  0.094315  0.837006  0.703790  1
  C  C266  1  0.594315  0.337006  0.703790  1
  C  C267  1  0.701732  0.825464  0.659222  1
  C  C268  1  0.201732  0.325464  0.659222  1
  C  C269  1  0.225206  0.084424  0.719285  1
  C  C270  1  0.725206  0.584424  0.719285  1
  C  C271  1  0.833796  0.067923  0.674194  1
  C  C272  1  0.333796  0.567923  0.674194  1
  C  C273  1  0.987432  0.820293  0.644114  1
  C  C274  1  0.487432  0.320293  0.644114  1
  C  C275  1  0.378094  0.833932  0.689601  1
  C  C276  1  0.878094  0.333932  0.689601  1
  C  C277  1  0.118250  0.063601  0.659505  1
  C  C278  1  0.618250  0.563601  0.659505  1
  C  C279  1  0.509417  0.077704  0.704768  1
  C  C280  1  0.009417  0.577704  0.704768  1
