# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71430776
_cell_length_b   22.21816076
_cell_length_c   55.95755893
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7C3
_chemical_formula_sum   'Fe252 C108'
_cell_volume   5861.17645242
_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  0.620072  0.769404  0.331182  1
  Fe  Fe2  1  0.612794  0.028017  0.275417  1
  Fe  Fe3  1  0.619721  0.512283  0.386821  1
  Fe  Fe4  1  0.115309  0.647870  0.335560  1
  Fe  Fe5  1  0.125783  0.903766  0.279934  1
  Fe  Fe6  1  0.118299  0.390611  0.391199  1
  Fe  Fe7  1  0.393455  0.503085  0.258975  1
  Fe  Fe8  1  0.382303  0.989047  0.369926  1
  Fe  Fe9  1  0.383072  0.246089  0.314344  1
  Fe  Fe10  1  0.877202  0.428664  0.297318  1
  Fe  Fe11  1  0.881969  0.913710  0.408124  1
  Fe  Fe12  1  0.880963  0.170795  0.352574  1
  Fe  Fe13  1  0.231823  0.591716  0.369925  1
  Fe  Fe14  1  0.235882  0.847761  0.314655  1
  Fe  Fe15  1  0.225124  0.105360  0.259345  1
  Fe  Fe16  1  0.727308  0.568412  0.352629  1
  Fe  Fe17  1  0.742403  0.822970  0.297449  1
  Fe  Fe18  1  0.729958  0.311107  0.408196  1
  Fe  Fe19  1  0.770821  0.811107  0.408196  1
  Fe  Fe20  1  0.773471  0.068412  0.352629  1
  Fe  Fe21  1  0.758376  0.322970  0.297449  1
  Fe  Fe22  1  0.275655  0.605360  0.259345  1
  Fe  Fe23  1  0.268956  0.091716  0.369925  1
  Fe  Fe24  1  0.264897  0.347761  0.314655  1
  Fe  Fe25  1  0.243915  0.539824  0.332099  1
  Fe  Fe26  1  0.254096  0.795633  0.275297  1
  Fe  Fe27  1  0.244598  0.282632  0.387551  1
  Fe  Fe28  1  0.744723  0.620027  0.390581  1
  Fe  Fe29  1  0.748723  0.877180  0.334993  1
  Fe  Fe30  1  0.742230  0.133681  0.278940  1
  Fe  Fe31  1  0.758549  0.633681  0.278940  1
  Fe  Fe32  1  0.756056  0.120027  0.390581  1
  Fe  Fe33  1  0.752056  0.377180  0.334993  1
  Fe  Fe34  1  0.256181  0.782632  0.387551  1
  Fe  Fe35  1  0.256864  0.039824  0.332099  1
  Fe  Fe36  1  0.246683  0.295633  0.275297  1
  Fe  Fe37  1  0.411536  0.493461  0.299020  1
  Fe  Fe38  1  0.412993  0.979833  0.409681  1
  Fe  Fe39  1  0.411416  0.236400  0.354209  1
  Fe  Fe40  1  0.916685  0.433675  0.256628  1
  Fe  Fe41  1  0.914136  0.922933  0.368358  1
  Fe  Fe42  1  0.914124  0.180264  0.312828  1
  Fe  Fe43  1  0.586655  0.680264  0.312828  1
  Fe  Fe44  1  0.584094  0.933675  0.256628  1
  Fe  Fe45  1  0.586643  0.422933  0.368358  1
  Fe  Fe46  1  0.089363  0.736400  0.354209  1
  Fe  Fe47  1  0.089243  0.993461  0.299020  1
  Fe  Fe48  1  0.087786  0.479833  0.409681  1
  Fe  Fe49  1  0.117707  0.746089  0.314344  1
  Fe  Fe50  1  0.107324  0.003085  0.258975  1
  Fe  Fe51  1  0.118476  0.489047  0.369926  1
  Fe  Fe52  1  0.619816  0.670795  0.352574  1
  Fe  Fe53  1  0.623577  0.928664  0.297318  1
  Fe  Fe54  1  0.618810  0.413710  0.408124  1
  Fe  Fe55  1  0.887985  0.528017  0.275417  1
  Fe  Fe56  1  0.881058  0.012283  0.386821  1
  Fe  Fe57  1  0.880707  0.269404  0.331182  1
  Fe  Fe58  1  0.374996  0.403766  0.279934  1
  Fe  Fe59  1  0.382480  0.890611  0.391199  1
  Fe  Fe60  1  0.385470  0.147870  0.335560  1
  Fe  Fe61  1  0.755211  0.479354  0.330711  1
  Fe  Fe62  1  0.746174  0.734288  0.274777  1
  Fe  Fe63  1  0.755064  0.221762  0.386301  1
  Fe  Fe64  1  0.255417  0.681149  0.391756  1
  Fe  Fe65  1  0.257571  0.938162  0.336110  1
  Fe  Fe66  1  0.255161  0.195318  0.280644  1
  Fe  Fe67  1  0.246010  0.604377  0.300433  1
  Fe  Fe68  1  0.245635  0.089812  0.411528  1
  Fe  Fe69  1  0.244115  0.346823  0.356025  1
  Fe  Fe70  1  0.746432  0.813150  0.366586  1
  Fe  Fe71  1  0.746311  0.070945  0.311196  1
  Fe  Fe72  1  0.735078  0.329859  0.255654  1
  Fe  Fe73  1  0.245618  0.695318  0.280644  1
  Fe  Fe74  1  0.245362  0.181149  0.391756  1
  Fe  Fe75  1  0.243208  0.438162  0.336110  1
  Fe  Fe76  1  0.745715  0.721762  0.386301  1
  Fe  Fe77  1  0.745568  0.979354  0.330711  1
  Fe  Fe78  1  0.754605  0.234288  0.274777  1
  Fe  Fe79  1  0.754468  0.570945  0.311196  1
  Fe  Fe80  1  0.765701  0.829859  0.255654  1
  Fe  Fe81  1  0.754347  0.313150  0.366586  1
  Fe  Fe82  1  0.255144  0.589812  0.411528  1
  Fe  Fe83  1  0.256664  0.846823  0.356025  1
  Fe  Fe84  1  0.254769  0.104377  0.300433  1
  Fe  Fe85  1  0.620340  0.998595  0.497932  1
  Fe  Fe86  1  0.619628  0.255436  0.442370  1
  Fe  Fe87  1  0.620581  0.741810  0.553462  1
  Fe  Fe88  1  0.120340  0.876830  0.502373  1
  Fe  Fe89  1  0.120581  0.133615  0.446843  1
  Fe  Fe90  1  0.119628  0.619989  0.557936  1
  Fe  Fe91  1  0.381791  0.732282  0.425506  1
  Fe  Fe92  1  0.381514  0.218536  0.536601  1
  Fe  Fe93  1  0.381131  0.475401  0.481051  1
  Fe  Fe94  1  0.881514  0.656889  0.463705  1
  Fe  Fe95  1  0.881791  0.143143  0.574799  1
  Fe  Fe96  1  0.881131  0.400024  0.519254  1
  Fe  Fe97  1  0.231650  0.821272  0.536550  1
  Fe  Fe98  1  0.231257  0.078112  0.480989  1
  Fe  Fe99  1  0.230595  0.334933  0.425441  1
  Fe  Fe100  1  0.731257  0.797313  0.519317  1
  Fe  Fe101  1  0.731650  0.054153  0.463756  1
  Fe  Fe102  1  0.730595  0.540492  0.574864  1
  Fe  Fe103  1  0.770184  0.040492  0.574864  1
  Fe  Fe104  1  0.769522  0.297313  0.519317  1
  Fe  Fe105  1  0.769130  0.554153  0.463756  1
  Fe  Fe106  1  0.270184  0.834933  0.425441  1
  Fe  Fe107  1  0.269130  0.321272  0.536550  1
  Fe  Fe108  1  0.269522  0.578112  0.480989  1
  Fe  Fe109  1  0.245713  0.769061  0.498627  1
  Fe  Fe110  1  0.246047  0.025865  0.443064  1
  Fe  Fe111  1  0.245192  0.512153  0.554192  1
  Fe  Fe112  1  0.746047  0.849560  0.557241  1
  Fe  Fe113  1  0.745713  0.106364  0.501678  1
  Fe  Fe114  1  0.745192  0.363272  0.446114  1
  Fe  Fe115  1  0.755587  0.863272  0.446114  1
  Fe  Fe116  1  0.754732  0.349560  0.557241  1
  Fe  Fe117  1  0.755067  0.606364  0.501678  1
  Fe  Fe118  1  0.255587  0.012153  0.554192  1
  Fe  Fe119  1  0.255067  0.269061  0.498627  1
  Fe  Fe120  1  0.254732  0.525865  0.443064  1
  Fe  Fe121  1  0.412691  0.722994  0.465255  1
  Fe  Fe122  1  0.412089  0.209294  0.576367  1
  Fe  Fe123  1  0.412067  0.466133  0.520811  1
  Fe  Fe124  1  0.912089  0.666131  0.423939  1
  Fe  Fe125  1  0.912691  0.152431  0.535051  1
  Fe  Fe126  1  0.912067  0.409292  0.479494  1
  Fe  Fe127  1  0.588712  0.909292  0.479494  1
  Fe  Fe128  1  0.588691  0.166131  0.423939  1
  Fe  Fe129  1  0.588088  0.652431  0.535051  1
  Fe  Fe130  1  0.088712  0.966133  0.520811  1
  Fe  Fe131  1  0.088088  0.222994  0.465255  1
  Fe  Fe132  1  0.088691  0.709294  0.576367  1
  Fe  Fe133  1  0.119649  0.975401  0.481051  1
  Fe  Fe134  1  0.118988  0.232282  0.425506  1
  Fe  Fe135  1  0.119266  0.718536  0.536601  1
  Fe  Fe136  1  0.619649  0.900024  0.519254  1
  Fe  Fe137  1  0.619266  0.156889  0.463705  1
  Fe  Fe138  1  0.618988  0.643143  0.574799  1
  Fe  Fe139  1  0.881151  0.755436  0.442370  1
  Fe  Fe140  1  0.880198  0.241810  0.553462  1
  Fe  Fe141  1  0.880439  0.498595  0.497932  1
  Fe  Fe142  1  0.380198  0.633615  0.446843  1
  Fe  Fe143  1  0.381151  0.119989  0.557936  1
  Fe  Fe144  1  0.380439  0.376830  0.502373  1
  Fe  Fe145  1  0.754932  0.708015  0.497392  1
  Fe  Fe146  1  0.755281  0.964865  0.441836  1
  Fe  Fe147  1  0.754351  0.451181  0.552957  1
  Fe  Fe148  1  0.255281  0.910560  0.558469  1
  Fe  Fe149  1  0.254932  0.167410  0.502913  1
  Fe  Fe150  1  0.254351  0.424244  0.447348  1
  Fe  Fe151  1  0.245472  0.832984  0.467072  1
  Fe  Fe152  1  0.244694  0.319340  0.578192  1
  Fe  Fe153  1  0.244813  0.576120  0.522632  1
  Fe  Fe154  1  0.745472  0.042441  0.533233  1
  Fe  Fe155  1  0.744813  0.299305  0.477673  1
  Fe  Fe156  1  0.744694  0.556085  0.422114  1
  Fe  Fe157  1  0.246428  0.924244  0.447348  1
  Fe  Fe158  1  0.245498  0.410560  0.558469  1
  Fe  Fe159  1  0.245847  0.667410  0.502913  1
  Fe  Fe160  1  0.746428  0.951181  0.552957  1
  Fe  Fe161  1  0.745847  0.208015  0.497392  1
  Fe  Fe162  1  0.745498  0.464865  0.441836  1
  Fe  Fe163  1  0.755966  0.799305  0.477673  1
  Fe  Fe164  1  0.756085  0.056085  0.422114  1
  Fe  Fe165  1  0.755307  0.542441  0.533233  1
  Fe  Fe166  1  0.256085  0.819340  0.578192  1
  Fe  Fe167  1  0.255966  0.076120  0.522632  1
  Fe  Fe168  1  0.255307  0.332984  0.467072  1
  Fe  Fe169  1  0.615309  0.227555  0.664746  1
  Fe  Fe170  1  0.618299  0.484814  0.609107  1
  Fe  Fe171  1  0.625783  0.971659  0.720371  1
  Fe  Fe172  1  0.120072  0.106021  0.669124  1
  Fe  Fe173  1  0.119721  0.363142  0.613485  1
  Fe  Fe174  1  0.112794  0.847408  0.724889  1
  Fe  Fe175  1  0.381969  0.961715  0.592181  1
  Fe  Fe176  1  0.377202  0.446761  0.702988  1
  Fe  Fe177  1  0.380963  0.704630  0.647731  1
  Fe  Fe178  1  0.882303  0.886378  0.630379  1
  Fe  Fe179  1  0.893455  0.372340  0.741331  1
  Fe  Fe180  1  0.883072  0.629336  0.685961  1
  Fe  Fe181  1  0.242403  0.052455  0.702856  1
  Fe  Fe182  1  0.227308  0.307013  0.647676  1
  Fe  Fe183  1  0.229958  0.564318  0.592109  1
  Fe  Fe184  1  0.735882  0.027664  0.685650  1
  Fe  Fe185  1  0.731823  0.283709  0.630381  1
  Fe  Fe186  1  0.725124  0.770065  0.740960  1
  Fe  Fe187  1  0.775655  0.270065  0.740960  1
  Fe  Fe188  1  0.764897  0.527664  0.685650  1
  Fe  Fe189  1  0.768956  0.783709  0.630381  1
  Fe  Fe190  1  0.270821  0.064318  0.592109  1
  Fe  Fe191  1  0.258376  0.552455  0.702856  1
  Fe  Fe192  1  0.273471  0.807013  0.647676  1
  Fe  Fe193  1  0.248723  0.998245  0.665313  1
  Fe  Fe194  1  0.244723  0.255398  0.609725  1
  Fe  Fe195  1  0.242230  0.741744  0.721365  1
  Fe  Fe196  1  0.754096  0.079792  0.725009  1
  Fe  Fe197  1  0.743915  0.335601  0.668207  1
  Fe  Fe198  1  0.744598  0.592793  0.612754  1
  Fe  Fe199  1  0.756181  0.092793  0.612754  1
  Fe  Fe200  1  0.746683  0.579792  0.725009  1
  Fe  Fe201  1  0.756864  0.835601  0.668207  1
  Fe  Fe202  1  0.258549  0.241744  0.721365  1
  Fe  Fe203  1  0.252056  0.498245  0.665313  1
  Fe  Fe204  1  0.256056  0.755398  0.609725  1
  Fe  Fe205  1  0.414136  0.952492  0.631948  1
  Fe  Fe206  1  0.416685  0.441750  0.743678  1
  Fe  Fe207  1  0.414124  0.695161  0.687478  1
  Fe  Fe208  1  0.912993  0.895592  0.590624  1
  Fe  Fe209  1  0.911536  0.381964  0.701285  1
  Fe  Fe210  1  0.911416  0.639025  0.646097  1
  Fe  Fe211  1  0.589363  0.139025  0.646097  1
  Fe  Fe212  1  0.587786  0.395592  0.590624  1
  Fe  Fe213  1  0.589243  0.881964  0.701285  1
  Fe  Fe214  1  0.086655  0.195161  0.687478  1
  Fe  Fe215  1  0.086643  0.452492  0.631948  1
  Fe  Fe216  1  0.084094  0.941750  0.743678  1
  Fe  Fe217  1  0.119816  0.204630  0.647731  1
  Fe  Fe218  1  0.118810  0.461715  0.592181  1
  Fe  Fe219  1  0.123577  0.946761  0.702988  1
  Fe  Fe220  1  0.617707  0.129336  0.685961  1
  Fe  Fe221  1  0.618476  0.386378  0.630379  1
  Fe  Fe222  1  0.607324  0.872340  0.741331  1
  Fe  Fe223  1  0.882480  0.984814  0.609107  1
  Fe  Fe224  1  0.874996  0.471659  0.720371  1
  Fe  Fe225  1  0.885470  0.727555  0.664746  1
  Fe  Fe226  1  0.381058  0.863142  0.613485  1
  Fe  Fe227  1  0.387985  0.347408  0.724889  1
  Fe  Fe228  1  0.380707  0.606021  0.669124  1
  Fe  Fe229  1  0.757571  0.937263  0.664195  1
  Fe  Fe230  1  0.755417  0.194276  0.608549  1
  Fe  Fe231  1  0.755161  0.680107  0.719661  1
  Fe  Fe232  1  0.246174  0.141137  0.725528  1
  Fe  Fe233  1  0.255211  0.396071  0.669594  1
  Fe  Fe234  1  0.255064  0.653663  0.614004  1
  Fe  Fe235  1  0.246432  0.062275  0.633719  1
  Fe  Fe236  1  0.235078  0.545566  0.744651  1
  Fe  Fe237  1  0.246311  0.804480  0.689109  1
  Fe  Fe238  1  0.746010  0.271048  0.699873  1
  Fe  Fe239  1  0.744115  0.528602  0.644280  1
  Fe  Fe240  1  0.745635  0.785613  0.588777  1
  Fe  Fe241  1  0.245715  0.153663  0.614004  1
  Fe  Fe242  1  0.254605  0.641137  0.725528  1
  Fe  Fe243  1  0.245568  0.896071  0.669594  1
  Fe  Fe244  1  0.745618  0.180107  0.719661  1
  Fe  Fe245  1  0.743208  0.437263  0.664195  1
  Fe  Fe246  1  0.745362  0.694276  0.608549  1
  Fe  Fe247  1  0.756664  0.028602  0.644280  1
  Fe  Fe248  1  0.755144  0.285613  0.588777  1
  Fe  Fe249  1  0.754769  0.771048  0.699873  1
  Fe  Fe250  1  0.265701  0.045566  0.744651  1
  Fe  Fe251  1  0.254468  0.304480  0.689109  1
  Fe  Fe252  1  0.254347  0.562275  0.633719  1
  C  C253  1  0.481139  0.748297  0.362369  1
  C  C254  1  0.481564  0.006128  0.306761  1
  C  C255  1  0.488855  0.261851  0.251156  1
  C  C256  1  0.977753  0.668846  0.304317  1
  C  C257  1  0.980632  0.154753  0.415698  1
  C  C258  1  0.978466  0.411709  0.360042  1
  C  C259  1  0.520147  0.654753  0.415698  1
  C  C260  1  0.522313  0.911709  0.360042  1
  C  C261  1  0.523026  0.168846  0.304317  1
  C  C262  1  0.019215  0.506128  0.306761  1
  C  C263  1  0.011924  0.761851  0.251156  1
  C  C264  1  0.019640  0.248297  0.362369  1
  C  C265  1  0.982759  0.549868  0.391513  1
  C  C266  1  0.983628  0.806561  0.336171  1
  C  C267  1  0.978732  0.063438  0.281091  1
  C  C268  1  0.478950  0.610439  0.331025  1
  C  C269  1  0.490349  0.865991  0.276514  1
  C  C270  1  0.481376  0.352985  0.386573  1
  C  C271  1  0.018481  0.742489  0.410442  1
  C  C272  1  0.018863  -0.000564  0.354902  1
  C  C273  1  0.019855  0.256624  0.299286  1
  C  C274  1  0.517975  0.674561  0.256470  1
  C  C275  1  0.518219  0.160056  0.367673  1
  C  C276  1  0.512857  0.416170  0.311898  1
  C  C277  1  0.019403  0.852985  0.386573  1
  C  C278  1  0.021830  0.110439  0.331025  1
  C  C279  1  0.010430  0.365991  0.276514  1
  C  C280  1  0.522047  0.563438  0.281091  1
  C  C281  1  0.518020  0.049868  0.391513  1
  C  C282  1  0.517151  0.306561  0.336171  1
  C  C283  1  0.982560  0.660056  0.367673  1
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  C  C285  1  0.982804  0.174561  0.256470  1
  C  C286  1  0.481916  0.499436  0.354902  1
  C  C287  1  0.480925  0.756624  0.299286  1
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  C  C326  1  0.478466  0.463716  0.640263  1
  C  C327  1  0.480632  0.720672  0.584607  1
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  C  C329  1  0.988855  0.613574  0.749149  1
  C  C330  1  0.981564  0.869297  0.693545  1
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  C  C337  1  0.990349  0.009434  0.723791  1
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  C  C339  1  0.981376  0.522440  0.613733  1
  C  C340  1  0.483628  0.068864  0.664134  1
  C  C341  1  0.482759  0.325557  0.608793  1
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  C  C343  1  0.017975  0.200864  0.743836  1
  C  C344  1  0.012857  0.459255  0.688407  1
  C  C345  1  0.018219  0.715369  0.632632  1
  C  C346  1  0.518481  0.132936  0.589863  1
  C  C347  1  0.519855  0.618801  0.701020  1
  C  C348  1  0.518863  0.875989  0.645404  1
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  C  C350  1  0.017151  0.568864  0.664134  1
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  C  C353  1  0.510430  0.509434  0.723791  1
  C  C354  1  0.521830  0.764986  0.669280  1
  C  C355  1  0.980925  0.118801  0.701020  1
  C  C356  1  0.981916  0.375989  0.645404  1
  C  C357  1  0.982298  0.632936  0.589863  1
  C  C358  1  0.487922  0.959255  0.688407  1
  C  C359  1  0.482560  0.215369  0.632632  1
  C  C360  1  0.482804  0.700864  0.743836  1
