# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61100022
_cell_length_b   15.88934943
_cell_length_c   48.52317378
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.05332378
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe210 C84'
_cell_volume   5096.39643851
_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  0.555829  0.384967  0.303326  1
  Fe  Fe2  1  0.382496  0.036414  0.324759  1
  Fe  Fe3  1  0.725437  0.731633  0.280408  1
  Fe  Fe4  1  0.740717  0.257862  0.297623  1
  Fe  Fe5  1  0.570735  0.916527  0.323996  1
  Fe  Fe6  1  0.913631  0.602119  0.275723  1
  Fe  Fe7  1  0.055774  0.476864  0.283131  1
  Fe  Fe8  1  0.882763  0.129394  0.304325  1
  Fe  Fe9  1  0.705300  0.780884  0.327760  1
  Fe  Fe10  1  0.178014  0.445879  0.331272  1
  Fe  Fe11  1  0.489566  0.136847  0.288030  1
  Fe  Fe12  1  0.351808  0.794584  0.309761  1
  Fe  Fe13  1  0.115623  0.198524  0.271598  1
  Fe  Fe14  1  0.941368  0.849225  0.294536  1
  Fe  Fe15  1  0.768677  0.502924  0.316289  1
  Fe  Fe16  1  0.871427  0.368855  0.326500  1
  Fe  Fe17  1  0.166576  0.057483  0.278751  1
  Fe  Fe18  1  0.043146  0.715199  0.304135  1
  Fe  Fe19  1  0.250498  0.310028  0.320076  1
  Fe  Fe20  1  0.599011  0.008763  0.275175  1
  Fe  Fe21  1  0.423848  0.658832  0.296985  1
  Fe  Fe22  1  0.420015  0.277965  0.275815  1
  Fe  Fe23  1  0.248630  0.926696  0.297899  1
  Fe  Fe24  1  0.074314  0.578761  0.320920  1
  Fe  Fe25  1  0.242154  0.169064  0.319251  1
  Fe  Fe26  1  0.574946  0.867014  0.278400  1
  Fe  Fe27  1  0.416316  0.515552  0.296946  1
  Fe  Fe28  1  0.046855  0.334995  0.282826  1
  Fe  Fe29  1  0.869861  0.986429  0.305221  1
  Fe  Fe30  1  0.698653  0.637841  0.327246  1
  Fe  Fe31  1  0.032246  0.340700  0.369897  1
  Fe  Fe32  1  0.858015  0.992313  0.391291  1
  Fe  Fe33  1  0.206446  0.687890  0.347513  1
  Fe  Fe34  1  0.218320  0.216484  0.365639  1
  Fe  Fe35  1  0.044795  0.869353  0.388563  1
  Fe  Fe36  1  0.392154  0.563692  0.343896  1
  Fe  Fe37  1  0.531604  0.433316  0.349864  1
  Fe  Fe38  1  0.357992  0.085752  0.371393  1
  Fe  Fe39  1  0.183321  0.737677  0.394043  1
  Fe  Fe40  1  0.656721  0.402138  0.397616  1
  Fe  Fe41  1  0.007458  0.098297  0.352595  1
  Fe  Fe42  1  0.830746  0.749993  0.375379  1
  Fe  Fe43  1  0.592701  0.156689  0.337896  1
  Fe  Fe44  1  0.418020  0.807635  0.360405  1
  Fe  Fe45  1  0.245500  0.459204  0.382978  1
  Fe  Fe46  1  0.349792  0.325833  0.393137  1
  Fe  Fe47  1  0.701087  0.024227  0.348236  1
  Fe  Fe48  1  0.524449  0.673574  0.370930  1
  Fe  Fe49  1  0.728373  0.266577  0.386555  1
  Fe  Fe50  1  0.079973  0.963639  0.341686  1
  Fe  Fe51  1  0.902032  0.614426  0.364476  1
  Fe  Fe52  1  0.899154  0.231369  0.342523  1
  Fe  Fe53  1  0.725734  0.882885  0.365147  1
  Fe  Fe54  1  0.552575  0.535507  0.387362  1
  Fe  Fe55  1  0.718761  0.124204  0.385846  1
  Fe  Fe56  1  0.069605  0.818856  0.342094  1
  Fe  Fe57  1  0.892917  0.471766  0.364201  1
  Fe  Fe58  1  0.522597  0.290832  0.349055  1
  Fe  Fe59  1  0.347156  0.942448  0.371313  1
  Fe  Fe60  1  0.174159  0.594802  0.393917  1
  Fe  Fe61  1  0.509520  0.297247  0.436476  1
  Fe  Fe62  1  0.334753  0.949601  0.458184  1
  Fe  Fe63  1  0.683817  0.644966  0.414149  1
  Fe  Fe64  1  0.695390  0.173146  0.432364  1
  Fe  Fe65  1  0.521528  0.825879  0.454956  1
  Fe  Fe66  1  0.870088  0.521072  0.410683  1
  Fe  Fe67  1  0.008995  0.389827  0.416371  1
  Fe  Fe68  1  0.834503  0.042098  0.437911  1
  Fe  Fe69  1  0.660395  0.694380  0.460644  1
  Fe  Fe70  1  0.134167  0.358761  0.464174  1
  Fe  Fe71  1  0.484315  0.054415  0.419062  1
  Fe  Fe72  1  0.308226  0.706906  0.441903  1
  Fe  Fe73  1  0.070498  0.111869  0.404705  1
  Fe  Fe74  1  0.897440  0.763589  0.427246  1
  Fe  Fe75  1  0.722339  0.416021  0.449567  1
  Fe  Fe76  1  0.827018  0.282527  0.459745  1
  Fe  Fe77  1  0.175755  0.978800  0.414912  1
  Fe  Fe78  1  0.001443  0.630376  0.437469  1
  Fe  Fe79  1  0.205556  0.223152  0.453140  1
  Fe  Fe80  1  0.554947  0.919361  0.408342  1
  Fe  Fe81  1  0.380037  0.571230  0.430955  1
  Fe  Fe82  1  0.377838  0.187973  0.409116  1
  Fe  Fe83  1  0.204504  0.840077  0.431565  1
  Fe  Fe84  1  0.029591  0.492021  0.453970  1
  Fe  Fe85  1  0.195812  0.080663  0.452546  1
  Fe  Fe86  1  0.544921  0.776186  0.408475  1
  Fe  Fe87  1  0.370567  0.428364  0.430804  1
  Fe  Fe88  1  0.999648  0.247266  0.415743  1
  Fe  Fe89  1  0.824818  0.899404  0.438054  1
  Fe  Fe90  1  0.650813  0.551403  0.460472  1
  Fe  Fe91  1  0.986650  0.254153  0.503124  1
  Fe  Fe92  1  0.811775  0.906264  0.524846  1
  Fe  Fe93  1  0.160798  0.601508  0.480658  1
  Fe  Fe94  1  0.172406  0.129931  0.499021  1
  Fe  Fe95  1  0.998258  0.782576  0.521487  1
  Fe  Fe96  1  0.347281  0.477820  0.477299  1
  Fe  Fe97  1  0.486114  0.346551  0.482952  1
  Fe  Fe98  1  0.311381  -0.001003  0.504701  1
  Fe  Fe99  1  0.137080  0.651087  0.527161  1
  Fe  Fe100  1  0.611271  0.315568  0.530778  1
  Fe  Fe101  1  0.959707  0.011296  0.485893  1
  Fe  Fe102  1  0.785247  0.663550  0.508425  1
  Fe  Fe103  1  0.547785  0.068516  0.471367  1
  Fe  Fe104  1  0.373809  0.720534  0.493720  1
  Fe  Fe105  1  0.199349  0.372788  0.516252  1
  Fe  Fe106  1  0.304140  0.239394  0.526382  1
  Fe  Fe107  1  0.652107  0.935404  0.481544  1
  Fe  Fe108  1  0.478344  0.587198  0.503998  1
  Fe  Fe109  1  0.682328  0.180093  0.519807  1
  Fe  Fe110  1  0.031378  0.876024  0.475065  1
  Fe  Fe111  1  0.857238  0.527832  0.497530  1
  Fe  Fe112  1  0.854916  0.144690  0.475763  1
  Fe  Fe113  1  0.680712  0.796886  0.498148  1
  Fe  Fe114  1  0.506949  0.448680  0.520602  1
  Fe  Fe115  1  0.672941  0.037533  0.519194  1
  Fe  Fe116  1  0.021976  0.732998  0.474984  1
  Fe  Fe117  1  0.847675  0.385087  0.497444  1
  Fe  Fe118  1  0.476727  0.203991  0.482339  1
  Fe  Fe119  1  0.301818  0.856252  0.504615  1
  Fe  Fe120  1  0.127678  0.508060  0.527080  1
  Fe  Fe121  1  0.463666  0.210938  0.569781  1
  Fe  Fe122  1  0.288968  0.863012  0.591462  1
  Fe  Fe123  1  0.637528  0.558205  0.547190  1
  Fe  Fe124  1  0.649536  0.086837  0.565670  1
  Fe  Fe125  1  0.475239  0.739118  0.587996  1
  Fe  Fe126  1  0.824303  0.434483  0.543962  1
  Fe  Fe127  1  0.963244  0.303421  0.549599  1
  Fe  Fe128  1  0.788489  0.955720  0.571341  1
  Fe  Fe129  1  0.614135  0.607898  0.593670  1
  Fe  Fe130  1  0.088558  0.272215  0.597440  1
  Fe  Fe131  1  0.436717  0.968063  0.552579  1
  Fe  Fe132  1  0.261615  0.620495  0.574899  1
  Fe  Fe133  1  0.024889  0.025323  0.537972  1
  Fe  Fe134  1  0.850830  0.677178  0.560242  1
  Fe  Fe135  1  0.674741  0.329669  0.583084  1
  Fe  Fe136  1  0.781218  0.196111  0.593029  1
  Fe  Fe137  1  0.129465  0.892063  0.548176  1
  Fe  Fe138  1  0.954552  0.544007  0.570581  1
  Fe  Fe139  1  0.159408  0.136818  0.586403  1
  Fe  Fe140  1  0.508243  0.832681  0.541673  1
  Fe  Fe141  1  0.334238  0.484680  0.564091  1
  Fe  Fe142  1  0.332038  0.101557  0.542400  1
  Fe  Fe143  1  0.157612  0.753708  0.564676  1
  Fe  Fe144  1  0.983300  0.405284  0.587233  1
  Fe  Fe145  1  0.150060  0.994257  0.585774  1
  Fe  Fe146  1  0.498661  0.689704  0.541502  1
  Fe  Fe147  1  0.324553  0.341986  0.564234  1
  Fe  Fe148  1  0.953500  0.160932  0.549005  1
  Fe  Fe149  1  0.779019  0.812854  0.571191  1
  Fe  Fe150  1  0.604109  0.464723  0.593803  1
  Fe  Fe151  1  0.940735  0.167600  0.636506  1
  Fe  Fe152  1  0.766902  0.820392  0.658250  1
  Fe  Fe153  1  0.114261  0.514731  0.613583  1
  Fe  Fe154  1  0.126809  0.043384  0.632248  1
  Fe  Fe155  1  0.952609  0.696194  0.654632  1
  Fe  Fe156  1  0.301040  0.391771  0.610855  1
  Fe  Fe157  1  0.440295  0.259880  0.616299  1
  Fe  Fe158  1  0.266139  0.912318  0.637944  1
  Fe  Fe159  1  0.089450  0.565228  0.660052  1
  Fe  Fe160  1  0.566355  0.227395  0.664249  1
  Fe  Fe161  1  0.913556  0.924880  0.619167  1
  Fe  Fe162  1  0.741036  0.576449  0.641741  1
  Fe  Fe163  1  0.502335  0.981946  0.604529  1
  Fe  Fe164  1  0.328310  0.634091  0.626766  1
  Fe  Fe165  1  0.151597  0.285787  0.649551  1
  Fe  Fe166  1  0.259902  0.152715  0.659622  1
  Fe  Fe167  1  0.606481  0.848577  0.614783  1
  Fe  Fe168  1  0.433321  0.501199  0.636999  1
  Fe  Fe169  1  0.636459  0.093252  0.653090  1
  Fe  Fe170  1  0.984897  0.789282  0.608228  1
  Fe  Fe171  1  0.811900  0.441636  0.630832  1
  Fe  Fe172  1  0.809264  0.058251  0.609009  1
  Fe  Fe173  1  0.634606  0.710510  0.631216  1
  Fe  Fe174  1  0.457969  0.359857  0.653909  1
  Fe  Fe175  1  0.627452  0.950768  0.652282  1
  Fe  Fe176  1  0.975735  0.646407  0.608102  1
  Fe  Fe177  1  0.801064  0.298332  0.630752  1
  Fe  Fe178  1  0.430683  0.117507  0.615590  1
  Fe  Fe179  1  0.257024  0.769658  0.637669  1
  Fe  Fe180  1  0.079083  0.420445  0.660459  1
  Fe  Fe181  1  0.418338  0.126222  0.704522  1
  Fe  Fe182  1  0.245425  0.781965  0.726422  1
  Fe  Fe183  1  0.588321  0.467557  0.678149  1
  Fe  Fe184  1  0.603227  -0.000883  0.698819  1
  Fe  Fe185  1  0.433619  0.652451  0.721737  1
  Fe  Fe186  1  0.776560  0.347670  0.677387  1
  Fe  Fe187  1  0.916902  0.215020  0.682894  1
  Fe  Fe188  1  0.742739  0.868532  0.705199  1
  Fe  Fe189  1  0.584110  0.517070  0.723745  1
  Fe  Fe190  1  0.043433  0.185560  0.730548  1
  Fe  Fe191  1  0.390379  0.881160  0.685856  1
  Fe  Fe192  1  0.217688  0.534859  0.707609  1
  Fe  Fe193  1  0.981042  0.938205  0.670873  1
  Fe  Fe194  1  0.807248  0.589500  0.692384  1
  Fe  Fe195  1  0.669490  0.247237  0.714116  1
  Fe  Fe196  1  0.739041  0.106119  0.726330  1
  Fe  Fe197  1  0.084742  0.805323  0.681225  1
  Fe  Fe198  1  0.910426  0.457388  0.704246  1
  Fe  Fe199  1  0.112201  0.049089  0.719319  1
  Fe  Fe200  1  0.460402  0.746243  0.674899  1
  Fe  Fe201  1  0.289195  0.397655  0.696924  1
  Fe  Fe202  1  0.287629  0.015229  0.675646  1
  Fe  Fe203  1  0.115910  0.668885  0.698010  1
  Fe  Fe204  1  0.992480  0.326601  0.723394  1
  Fe  Fe205  1  0.103282  0.907220  0.719014  1
  Fe  Fe206  1  0.453756  0.603200  0.674385  1
  Fe  Fe207  1  0.276293  0.254690  0.697821  1
  Fe  Fe208  1  0.908558  0.074056  0.682069  1
  Fe  Fe209  1  0.735207  0.725252  0.705160  1
  Fe  Fe210  1  0.560045  0.375321  0.726971  1
  C  C211  1  0.273636  0.405914  0.296162  1
  C  C212  1  0.101212  0.058637  0.317341  1
  C  C213  1  0.444029  0.757290  0.274170  1
  C  C214  1  0.476379  0.236016  0.312239  1
  C  C215  1  0.815155  0.928094  0.269631  1
  C  C216  1  0.650567  0.583461  0.291200  1
  C  C217  1  0.821404  0.409878  0.289822  1
  C  C218  1  0.647307  0.063538  0.311448  1
  C  C219  1  0.472438  0.712555  0.334071  1
  C  C220  1  0.021015  0.239161  0.306685  1
  C  C221  1  0.853043  0.891616  0.329702  1
  C  C222  1  0.194569  0.586344  0.284982  1
  C  C223  1  0.750499  0.362019  0.362424  1
  C  C224  1  0.576337  0.013922  0.383817  1
  C  C225  1  0.924533  0.709575  0.340225  1
  C  C226  1  0.952974  0.191399  0.379232  1
  C  C227  1  0.301468  0.886663  0.334652  1
  C  C228  1  0.127116  0.539043  0.357681  1
  C  C229  1  0.297733  0.365858  0.356389  1
  C  C230  1  0.123796  0.018686  0.378145  1
  C  C231  1  0.949411  0.670353  0.400718  1
  C  C232  1  0.500023  0.195625  0.373285  1
  C  C233  1  0.326791  0.847613  0.395743  1
  C  C234  1  0.673915  0.542743  0.351470  1
  C  C235  1  0.227772  0.318534  0.428984  1
  C  C236  1  0.052996  0.970946  0.450698  1
  C  C237  1  0.402024  0.666507  0.406747  1
  C  C238  1  0.429928  0.147824  0.445850  1
  C  C239  1  0.779288  0.843302  0.401892  1
  C  C240  1  0.604596  0.495601  0.424125  1
  C  C241  1  0.775025  0.322501  0.422989  1
  C  C242  1  0.600261  0.975141  0.444754  1
  C  C243  1  0.426295  0.627105  0.467240  1
  C  C244  1  0.977072  0.151955  0.439921  1
  C  C245  1  0.803318  0.804314  0.462347  1
  C  C246  1  0.151813  0.499589  0.418144  1
  C  C247  1  0.704914  0.275317  0.495591  1
  C  C248  1  0.530070  0.927773  0.517382  1
  C  C249  1  0.878969  0.623017  0.473280  1
  C  C250  1  0.906879  0.104842  0.512536  1
  C  C251  1  0.255969  0.800312  0.468356  1
  C  C252  1  0.081856  0.452203  0.490736  1
  C  C253  1  0.252177  0.279242  0.489609  1
  C  C254  1  0.077200  0.931881  0.511409  1
  C  C255  1  0.903087  0.583772  0.533789  1
  C  C256  1  0.454141  0.108767  0.506554  1
  C  C257  1  0.280087  0.761067  0.528865  1
  C  C258  1  0.628986  0.456311  0.484763  1
  C  C259  1  0.181984  0.232129  0.562224  1
  C  C260  1  0.007242  0.884495  0.584001  1
  C  C261  1  0.355738  0.579770  0.539798  1
  C  C262  1  0.384031  0.061583  0.579157  1
  C  C263  1  0.732761  0.756979  0.534906  1
  C  C264  1  0.558795  0.408943  0.557391  1
  C  C265  1  0.729128  0.236260  0.556295  1
  C  C266  1  0.554460  0.888483  0.578020  1
  C  C267  1  0.379767  0.540782  0.600254  1
  C  C268  1  0.931284  0.065550  0.573161  1
  C  C269  1  0.757031  0.717577  0.595398  1
  C  C270  1  0.106060  0.413138  0.551447  1
  C  C271  1  0.659033  0.188459  0.628860  1
  C  C272  1  0.485141  0.841341  0.650675  1
  C  C273  1  0.832265  0.536471  0.606402  1
  C  C274  1  0.861322  0.018226  0.645756  1
  C  C275  1  0.209645  0.713731  0.601427  1
  C  C276  1  0.035260  0.365398  0.624000  1
  C  C277  1  0.206082  0.192685  0.622913  1
  C  C278  1  0.031940  0.845041  0.644465  1
  C  C279  1  0.857587  0.497421  0.667493  1
  C  C280  1  0.408557  0.022066  0.639721  1
  C  C281  1  0.234523  0.674509  0.661920  1
  C  C282  1  0.582719  0.370162  0.618329  1
  C  C283  1  0.138041  0.144923  0.695460  1
  C  C284  1  0.964487  0.797740  0.717163  1
  C  C285  1  0.306013  0.492468  0.672443  1
  C  C286  1  0.337652  0.974206  0.712323  1
  C  C287  1  0.686618  0.671529  0.668074  1
  C  C288  1  0.511749  0.320546  0.690698  1
  C  C289  1  0.682677  0.148068  0.689906  1
  C  C290  1  0.508489  0.800623  0.710945  1
  C  C291  1  0.343901  0.455990  0.732514  1
  C  C292  1  0.885420  0.978170  0.705983  1
  C  C293  1  0.715026  0.626794  0.727975  1
  C  C294  1  0.057844  0.325447  0.684804  1
