# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.63391174
_cell_length_b   13.82000236
_cell_length_c   48.69475837
_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   'Fe280 C120'
_cell_volume   7156.21506188
_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  0.800762  0.603529  0.331818  1
  Fe  Fe2  1  0.800082  0.161441  0.287375  1
  Fe  Fe3  1  0.699218  0.829467  0.304056  1
  Fe  Fe4  1  0.698727  0.271232  0.349696  1
  Fe  Fe5  1  0.202383  0.852901  0.334367  1
  Fe  Fe6  1  0.193392  0.400359  0.287967  1
  Fe  Fe7  1  0.302117  0.078232  0.306732  1
  Fe  Fe8  1  0.298275  0.521215  0.350745  1
  Fe  Fe9  1  0.803305  0.954227  0.329427  1
  Fe  Fe10  1  0.798912  0.506162  0.285802  1
  Fe  Fe11  1  0.700524  0.006162  0.285802  1
  Fe  Fe12  1  0.696132  0.454227  0.329427  1
  Fe  Fe13  1  0.198591  0.669312  0.354911  1
  Fe  Fe14  1  0.196631  0.229539  0.309960  1
  Fe  Fe15  1  0.302805  0.729539  0.309960  1
  Fe  Fe16  1  0.300846  0.169312  0.354911  1
  Fe  Fe17  1  0.574233  0.951947  0.329510  1
  Fe  Fe18  1  0.573253  0.509171  0.284620  1
  Fe  Fe19  1  0.926183  0.009171  0.284620  1
  Fe  Fe20  1  0.925203  0.451947  0.329510  1
  Fe  Fe21  1  0.425721  0.671460  0.353685  1
  Fe  Fe22  1  0.419831  0.232486  0.309487  1
  Fe  Fe23  1  0.079605  0.732486  0.309487  1
  Fe  Fe24  1  0.073715  0.171460  0.353685  1
  Fe  Fe25  1  0.375743  0.934051  0.344224  1
  Fe  Fe26  1  0.372690  0.495075  0.298009  1
  Fe  Fe27  1  0.126746  0.995075  0.298009  1
  Fe  Fe28  1  0.123693  0.434051  0.344224  1
  Fe  Fe29  1  0.626690  0.691362  0.338439  1
  Fe  Fe30  1  0.621346  0.250181  0.292047  1
  Fe  Fe31  1  0.878090  0.750181  0.292047  1
  Fe  Fe32  1  0.872746  0.191362  0.338439  1
  Fe  Fe33  1  0.699354  0.661441  0.287375  1
  Fe  Fe34  1  0.698674  0.103529  0.331818  1
  Fe  Fe35  1  0.800709  0.771232  0.349696  1
  Fe  Fe36  1  0.800218  0.329467  0.304056  1
  Fe  Fe37  1  0.306044  0.900359  0.287967  1
  Fe  Fe38  1  0.297053  0.352901  0.334367  1
  Fe  Fe39  1  0.201161  0.021215  0.350745  1
  Fe  Fe40  1  0.197319  0.578232  0.306732  1
  Fe  Fe41  1  0.507350  0.088035  0.292760  1
  Fe  Fe42  1  0.505666  0.529705  0.338919  1
  Fe  Fe43  1  0.994338  0.873326  0.323102  1
  Fe  Fe44  1  0.989451  0.427860  0.276240  1
  Fe  Fe45  1  0.493437  0.808624  0.315154  1
  Fe  Fe46  1  0.491655  0.251396  0.360314  1
  Fe  Fe47  1  0.008230  0.594663  0.343827  1
  Fe  Fe48  1  0.005632  0.152784  0.299483  1
  Fe  Fe49  1  0.493804  0.652784  0.299483  1
  Fe  Fe50  1  0.491206  0.094663  0.343827  1
  Fe  Fe51  1  0.007781  0.751396  0.360314  1
  Fe  Fe52  1  0.005999  0.308624  0.315154  1
  Fe  Fe53  1  0.509985  0.927860  0.276240  1
  Fe  Fe54  1  0.505098  0.373326  0.323102  1
  Fe  Fe55  1  0.993770  0.029705  0.338919  1
  Fe  Fe56  1  0.992086  0.588035  0.292760  1
  Fe  Fe57  1  0.800489  0.486046  0.423243  1
  Fe  Fe58  1  0.799577  0.044422  0.377894  1
  Fe  Fe59  1  0.699273  0.714648  0.395352  1
  Fe  Fe60  1  0.699304  0.156317  0.440834  1
  Fe  Fe61  1  0.199247  0.735141  0.424303  1
  Fe  Fe62  1  0.199449  0.292965  0.379195  1
  Fe  Fe63  1  0.301054  0.963534  0.396505  1
  Fe  Fe64  1  0.300090  0.404642  0.441841  1
  Fe  Fe65  1  0.801676  0.837259  0.419411  1
  Fe  Fe66  1  0.800821  0.396820  0.373703  1
  Fe  Fe67  1  0.698616  0.896820  0.373703  1
  Fe  Fe68  1  0.697760  0.337259  0.419411  1
  Fe  Fe69  1  0.197651  0.553666  0.445754  1
  Fe  Fe70  1  0.198244  0.112538  0.400192  1
  Fe  Fe71  1  0.301192  0.612538  0.400192  1
  Fe  Fe72  1  0.301786  0.053666  0.445754  1
  Fe  Fe73  1  0.574186  0.835874  0.420711  1
  Fe  Fe74  1  0.573676  0.393989  0.375305  1
  Fe  Fe75  1  0.925760  0.893989  0.375305  1
  Fe  Fe76  1  0.925250  0.335874  0.420711  1
  Fe  Fe77  1  0.425444  0.555644  0.444542  1
  Fe  Fe78  1  0.425629  0.113424  0.399064  1
  Fe  Fe79  1  0.073807  0.613424  0.399064  1
  Fe  Fe80  1  0.073992  0.055644  0.444542  1
  Fe  Fe81  1  0.373750  0.816476  0.435774  1
  Fe  Fe82  1  0.373353  0.374087  0.390989  1
  Fe  Fe83  1  0.126083  0.874087  0.390989  1
  Fe  Fe84  1  0.125687  0.316476  0.435774  1
  Fe  Fe85  1  0.625794  0.574983  0.429253  1
  Fe  Fe86  1  0.625969  0.132978  0.383782  1
  Fe  Fe87  1  0.873467  0.632978  0.383782  1
  Fe  Fe88  1  0.873642  0.074983  0.429253  1
  Fe  Fe89  1  0.699859  0.544422  0.377894  1
  Fe  Fe90  1  0.698947  0.986046  0.423243  1
  Fe  Fe91  1  0.800132  0.656317  0.440834  1
  Fe  Fe92  1  0.800163  0.214648  0.395352  1
  Fe  Fe93  1  0.299987  0.792965  0.379195  1
  Fe  Fe94  1  0.300190  0.235141  0.424303  1
  Fe  Fe95  1  0.199346  0.904642  0.441841  1
  Fe  Fe96  1  0.198382  0.463534  0.396505  1
  Fe  Fe97  1  0.508878  0.971297  0.384125  1
  Fe  Fe98  1  0.507092  0.413188  0.429752  1
  Fe  Fe99  1  0.991815  0.755913  0.413584  1
  Fe  Fe100  1  0.989650  0.314433  0.368194  1
  Fe  Fe101  1  0.491976  0.693454  0.406122  1
  Fe  Fe102  1  0.492071  0.135092  0.451649  1
  Fe  Fe103  1  0.007261  0.478093  0.435468  1
  Fe  Fe104  1  0.006916  0.036384  0.390277  1
  Fe  Fe105  1  0.492521  0.536384  0.390277  1
  Fe  Fe106  1  0.492175  0.978093  0.435468  1
  Fe  Fe107  1  0.007366  0.635092  0.451649  1
  Fe  Fe108  1  0.007461  0.193454  0.406122  1
  Fe  Fe109  1  0.509786  0.814433  0.368194  1
  Fe  Fe110  1  0.507621  0.255913  0.413584  1
  Fe  Fe111  1  0.992344  0.913188  0.429752  1
  Fe  Fe112  1  0.990558  0.471297  0.384125  1
  Fe  Fe113  1  0.800240  0.369929  0.514320  1
  Fe  Fe114  1  0.800276  0.928085  0.468849  1
  Fe  Fe115  1  0.699273  0.597874  0.486276  1
  Fe  Fe116  1  0.699166  0.039427  0.531770  1
  Fe  Fe117  1  0.199273  0.618501  0.515412  1
  Fe  Fe118  1  0.199166  0.176948  0.469918  1
  Fe  Fe119  1  0.300240  0.846446  0.487368  1
  Fe  Fe120  1  0.300276  0.288290  0.532839  1
  Fe  Fe121  1  0.801538  0.720815  0.510528  1
  Fe  Fe122  1  0.801625  0.279144  0.465020  1
  Fe  Fe123  1  0.697812  0.779144  0.465020  1
  Fe  Fe124  1  0.697898  0.220815  0.510528  1
  Fe  Fe125  1  0.197812  0.437231  0.536668  1
  Fe  Fe126  1  0.197898  0.995560  0.491160  1
  Fe  Fe127  1  0.301538  0.495560  0.491160  1
  Fe  Fe128  1  0.301625  0.937231  0.536668  1
  Fe  Fe129  1  0.573932  0.719126  0.511775  1
  Fe  Fe130  1  0.573727  0.277524  0.466229  1
  Fe  Fe131  1  0.925709  0.777524  0.466229  1
  Fe  Fe132  1  0.925504  0.219126  0.511775  1
  Fe  Fe133  1  0.425709  0.438851  0.535459  1
  Fe  Fe134  1  0.425504  0.997249  0.489913  1
  Fe  Fe135  1  0.073932  0.497249  0.489913  1
  Fe  Fe136  1  0.073727  0.938851  0.535459  1
  Fe  Fe137  1  0.373674  0.699604  0.526983  1
  Fe  Fe138  1  0.373633  0.258170  0.481427  1
  Fe  Fe139  1  0.125803  0.758170  0.481427  1
  Fe  Fe140  1  0.125763  0.199604  0.526983  1
  Fe  Fe141  1  0.625803  0.458205  0.520261  1
  Fe  Fe142  1  0.625763  0.016771  0.474705  1
  Fe  Fe143  1  0.873674  0.516771  0.474705  1
  Fe  Fe144  1  0.873633  0.958205  0.520261  1
  Fe  Fe145  1  0.699160  0.428085  0.468849  1
  Fe  Fe146  1  0.699196  0.869929  0.514320  1
  Fe  Fe147  1  0.800270  0.539427  0.531770  1
  Fe  Fe148  1  0.800163  0.097874  0.486276  1
  Fe  Fe149  1  0.300270  0.676948  0.469918  1
  Fe  Fe150  1  0.300163  0.118501  0.515412  1
  Fe  Fe151  1  0.199160  0.788290  0.532839  1
  Fe  Fe152  1  0.199196  0.346446  0.487368  1
  Fe  Fe153  1  0.507250  0.854750  0.475214  1
  Fe  Fe154  1  0.507313  0.296581  0.520752  1
  Fe  Fe155  1  0.992185  0.639552  0.504570  1
  Fe  Fe156  1  0.992199  0.197870  0.459104  1
  Fe  Fe157  1  0.492185  0.576823  0.497119  1
  Fe  Fe158  1  0.492199  0.018505  0.542584  1
  Fe  Fe159  1  0.007250  0.361625  0.526474  1
  Fe  Fe160  1  0.007313  0.919794  0.480936  1
  Fe  Fe161  1  0.492123  0.419794  0.480936  1
  Fe  Fe162  1  0.492187  0.861625  0.526474  1
  Fe  Fe163  1  0.007238  0.518505  0.542584  1
  Fe  Fe164  1  0.007251  0.076823  0.497119  1
  Fe  Fe165  1  0.507238  0.697870  0.459104  1
  Fe  Fe166  1  0.507251  0.139552  0.504570  1
  Fe  Fe167  1  0.992123  0.796581  0.520752  1
  Fe  Fe168  1  0.992187  0.354750  0.475214  1
  Fe  Fe169  1  0.801054  0.252841  0.605184  1
  Fe  Fe170  1  0.800090  0.811733  0.559847  1
  Fe  Fe171  1  0.699247  0.481234  0.577386  1
  Fe  Fe172  1  0.699449  0.923410  0.622494  1
  Fe  Fe173  1  0.199273  0.501727  0.606337  1
  Fe  Fe174  1  0.199304  0.060058  0.560854  1
  Fe  Fe175  1  0.300489  0.730329  0.578445  1
  Fe  Fe176  1  0.299577  0.171953  0.623794  1
  Fe  Fe177  1  0.801192  0.603838  0.601497  1
  Fe  Fe178  1  0.801786  0.162709  0.555934  1
  Fe  Fe179  1  0.697651  0.662709  0.555934  1
  Fe  Fe180  1  0.698244  0.103838  0.601497  1
  Fe  Fe181  1  0.198616  0.319555  0.627985  1
  Fe  Fe182  1  0.197760  0.879116  0.582278  1
  Fe  Fe183  1  0.301676  0.379116  0.582278  1
  Fe  Fe184  1  0.300821  0.819555  0.627985  1
  Fe  Fe185  1  0.573807  0.602951  0.602624  1
  Fe  Fe186  1  0.573992  0.160732  0.557146  1
  Fe  Fe187  1  0.925444  0.660732  0.557146  1
  Fe  Fe188  1  0.925629  0.102951  0.602624  1
  Fe  Fe189  1  0.425760  0.322387  0.626383  1
  Fe  Fe190  1  0.425250  0.880501  0.580977  1
  Fe  Fe191  1  0.074186  0.380501  0.580977  1
  Fe  Fe192  1  0.073676  0.822387  0.626383  1
  Fe  Fe193  1  0.373467  0.583397  0.617906  1
  Fe  Fe194  1  0.373642  0.141393  0.572435  1
  Fe  Fe195  1  0.125794  0.641393  0.572435  1
  Fe  Fe196  1  0.125969  0.083397  0.617906  1
  Fe  Fe197  1  0.626083  0.342288  0.610699  1
  Fe  Fe198  1  0.625687  0.899899  0.565914  1
  Fe  Fe199  1  0.873750  0.399899  0.565914  1
  Fe  Fe200  1  0.873353  0.842288  0.610699  1
  Fe  Fe201  1  0.699346  0.311733  0.559847  1
  Fe  Fe202  1  0.698382  0.752841  0.605184  1
  Fe  Fe203  1  0.799987  0.423410  0.622494  1
  Fe  Fe204  1  0.800190  0.981234  0.577386  1
  Fe  Fe205  1  0.300132  0.560058  0.560854  1
  Fe  Fe206  1  0.300163  0.001727  0.606337  1
  Fe  Fe207  1  0.199859  0.671953  0.623794  1
  Fe  Fe208  1  0.198947  0.230329  0.578445  1
  Fe  Fe209  1  0.507261  0.738283  0.566221  1
  Fe  Fe210  1  0.506916  0.179991  0.611411  1
  Fe  Fe211  1  0.991976  0.522921  0.595566  1
  Fe  Fe212  1  0.992071  0.081284  0.550039  1
  Fe  Fe213  1  0.491815  0.460463  0.588104  1
  Fe  Fe214  1  0.489650  0.901942  0.633494  1
  Fe  Fe215  1  0.008878  0.245079  0.617563  1
  Fe  Fe216  1  0.007092  0.803187  0.571936  1
  Fe  Fe217  1  0.492344  0.303187  0.571936  1
  Fe  Fe218  1  0.490558  0.745079  0.617563  1
  Fe  Fe219  1  0.009786  0.401942  0.633494  1
  Fe  Fe220  1  0.007621  0.960463  0.588104  1
  Fe  Fe221  1  0.507366  0.581284  0.550039  1
  Fe  Fe222  1  0.507461  0.022921  0.595566  1
  Fe  Fe223  1  0.992521  0.679991  0.611411  1
  Fe  Fe224  1  0.992175  0.238283  0.566221  1
  Fe  Fe225  1  0.802117  0.138143  0.694956  1
  Fe  Fe226  1  0.798275  0.695160  0.650943  1
  Fe  Fe227  1  0.702383  0.363474  0.667321  1
  Fe  Fe228  1  0.693392  0.816016  0.713721  1
  Fe  Fe229  1  0.199218  0.386908  0.697632  1
  Fe  Fe230  1  0.198727  0.945143  0.651993  1
  Fe  Fe231  1  0.300762  0.612846  0.669870  1
  Fe  Fe232  1  0.300082  0.054935  0.714313  1
  Fe  Fe233  1  0.802805  0.486836  0.691728  1
  Fe  Fe234  1  0.800846  0.047063  0.646777  1
  Fe  Fe235  1  0.698591  0.547063  0.646777  1
  Fe  Fe236  1  0.696631  0.986836  0.691728  1
  Fe  Fe237  1  0.200524  0.210213  0.715887  1
  Fe  Fe238  1  0.196132  0.762148  0.672261  1
  Fe  Fe239  1  0.303305  0.262148  0.672261  1
  Fe  Fe240  1  0.298912  0.710213  0.715887  1
  Fe  Fe241  1  0.579605  0.483889  0.692201  1
  Fe  Fe242  1  0.573715  0.044915  0.648003  1
  Fe  Fe243  1  0.925721  0.544915  0.648003  1
  Fe  Fe244  1  0.919831  0.983889  0.692201  1
  Fe  Fe245  1  0.426183  0.207204  0.717068  1
  Fe  Fe246  1  0.425203  0.764428  0.672178  1
  Fe  Fe247  1  0.074233  0.264428  0.672178  1
  Fe  Fe248  1  0.073253  0.707204  0.717068  1
  Fe  Fe249  1  0.378090  0.466194  0.709641  1
  Fe  Fe250  1  0.372746  0.025013  0.663249  1
  Fe  Fe251  1  0.126690  0.525013  0.663249  1
  Fe  Fe252  1  0.121346  0.966194  0.709641  1
  Fe  Fe253  1  0.626746  0.221300  0.703679  1
  Fe  Fe254  1  0.623693  0.782324  0.657464  1
  Fe  Fe255  1  0.875743  0.282324  0.657464  1
  Fe  Fe256  1  0.872690  0.721300  0.703679  1
  Fe  Fe257  1  0.701161  0.195160  0.650943  1
  Fe  Fe258  1  0.697319  0.638143  0.694956  1
  Fe  Fe259  1  0.806044  0.316016  0.713721  1
  Fe  Fe260  1  0.797053  0.863474  0.667321  1
  Fe  Fe261  1  0.300709  0.445143  0.651993  1
  Fe  Fe262  1  0.300218  0.886908  0.697632  1
  Fe  Fe263  1  0.199354  0.554935  0.714313  1
  Fe  Fe264  1  0.198674  0.112846  0.669870  1
  Fe  Fe265  1  0.508230  0.621712  0.657862  1
  Fe  Fe266  1  0.505632  0.063591  0.702206  1
  Fe  Fe267  1  0.993437  0.407752  0.686534  1
  Fe  Fe268  1  0.991655  0.964980  0.641374  1
  Fe  Fe269  1  0.494338  0.343049  0.678586  1
  Fe  Fe270  1  0.489451  0.788515  0.725449  1
  Fe  Fe271  1  0.007350  0.128341  0.708929  1
  Fe  Fe272  1  0.005666  0.686670  0.662770  1
  Fe  Fe273  1  0.493770  0.186670  0.662770  1
  Fe  Fe274  1  0.492086  0.628341  0.708929  1
  Fe  Fe275  1  0.009985  0.288515  0.725449  1
  Fe  Fe276  1  0.005098  0.843049  0.678586  1
  Fe  Fe277  1  0.507781  0.464980  0.641374  1
  Fe  Fe278  1  0.505999  0.907752  0.686534  1
  Fe  Fe279  1  0.993804  0.563591  0.702206  1
  Fe  Fe280  1  0.991206  0.121712  0.657862  1
  C  C281  1  0.924065  0.704383  0.327941  1
  C  C282  1  0.923703  0.261559  0.282615  1
  C  C283  1  0.575733  0.761559  0.282615  1
  C  C284  1  0.575372  0.204383  0.327941  1
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