# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71404927
_cell_length_b   22.21611268
_cell_length_c   55.94488874
_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   'Fe224 C96'
_cell_volume   5858.98789972
_cell_formula_units_Z   32
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  0.613534  0.148191  0.327816  1
  Fe  Fe2  1  0.619313  0.605492  0.383605  1
  Fe  Fe3  1  0.118565  0.069220  0.364955  1
  Fe  Fe4  1  0.121101  0.611362  0.309448  1
  Fe  Fe5  1  0.384985  0.830824  0.350451  1
  Fe  Fe6  1  0.392270  0.374903  0.294266  1
  Fe  Fe7  1  0.873935  0.929708  0.286132  1
  Fe  Fe8  1  0.879453  0.386932  0.342976  1
  Fe  Fe9  1  0.237601  0.174456  0.295291  1
  Fe  Fe10  1  0.234323  0.632773  0.350008  1
  Fe  Fe11  1  0.735020  0.125969  0.289507  1
  Fe  Fe12  1  0.739885  0.584778  0.344433  1
  Fe  Fe13  1  0.763603  0.856088  0.316917  1
  Fe  Fe14  1  0.766810  0.313520  0.371647  1
  Fe  Fe15  1  0.266958  0.903941  0.322332  1
  Fe  Fe16  1  0.266527  0.360965  0.377482  1
  Fe  Fe17  1  0.273010  0.068439  0.279641  1
  Fe  Fe18  1  0.242452  0.527797  0.336942  1
  Fe  Fe19  1  0.745537  0.233035  0.300114  1
  Fe  Fe20  1  0.749463  0.689283  0.356285  1
  Fe  Fe21  1  0.756173  0.960320  0.328668  1
  Fe  Fe22  1  0.755578  0.417676  0.384212  1
  Fe  Fe23  1  0.263294  0.800694  0.309284  1
  Fe  Fe24  1  0.256174  0.257079  0.364735  1
  Fe  Fe25  1  0.411793  0.894012  0.381498  1
  Fe  Fe26  1  0.407832  0.436828  0.326129  1
  Fe  Fe27  1  0.915255  0.780749  0.367552  1
  Fe  Fe28  1  0.906038  0.324006  0.312419  1
  Fe  Fe29  1  0.588769  0.051856  0.339822  1
  Fe  Fe30  1  0.582011  0.595050  0.285126  1
  Fe  Fe31  1  0.086890  0.165668  0.353375  1
  Fe  Fe32  1  0.095257  0.707643  0.298035  1
  Fe  Fe33  1  0.108177  0.103244  0.322215  1
  Fe  Fe34  1  0.119612  0.559494  0.378063  1
  Fe  Fe35  1  0.619386  0.115428  0.370637  1
  Fe  Fe36  1  0.623747  0.658995  0.315321  1
  Fe  Fe37  1  0.882100  0.876762  0.355826  1
  Fe  Fe38  1  0.895351  0.419221  0.299461  1
  Fe  Fe39  1  0.374538  0.883849  0.281277  1
  Fe  Fe40  1  0.379305  0.340696  0.337176  1
  Fe  Fe41  1  0.743801  0.024834  0.297373  1
  Fe  Fe42  1  0.754081  0.482376  0.352941  1
  Fe  Fe43  1  0.255586  0.276214  0.284290  1
  Fe  Fe44  1  0.258927  0.734832  0.340358  1
  Fe  Fe45  1  0.244398  0.975959  0.352025  1
  Fe  Fe46  1  0.209678  0.508949  0.292498  1
  Fe  Fe47  1  0.738069  0.787039  0.285136  1
  Fe  Fe48  1  0.740483  0.242738  0.341160  1
  Fe  Fe49  1  0.243938  0.005077  0.312316  1
  Fe  Fe50  1  0.242914  0.463033  0.367977  1
  Fe  Fe51  1  0.749960  0.753845  0.325327  1
  Fe  Fe52  1  0.744306  0.211283  0.380576  1
  Fe  Fe53  1  0.756461  0.970901  0.368960  1
  Fe  Fe54  1  0.755792  0.514601  0.313192  1
  Fe  Fe55  1  0.253168  0.247581  0.324469  1
  Fe  Fe56  1  0.256764  0.704524  0.379880  1
  Fe  Fe57  1  0.618940  0.062951  0.439184  1
  Fe  Fe58  1  0.619577  0.520075  0.494705  1
  Fe  Fe59  1  0.120058  0.983836  0.476255  1
  Fe  Fe60  1  0.118874  0.526456  0.420698  1
  Fe  Fe61  1  0.381533  0.745297  0.461369  1
  Fe  Fe62  1  0.379911  0.287936  0.405791  1
  Fe  Fe63  1  0.881864  0.844125  0.398614  1
  Fe  Fe64  1  0.880366  0.301436  0.454067  1
  Fe  Fe65  1  0.229930  0.089781  0.405010  1
  Fe  Fe66  1  0.232583  0.546908  0.460673  1
  Fe  Fe67  1  0.730463  0.042443  0.399273  1
  Fe  Fe68  1  0.730556  0.499509  0.454780  1
  Fe  Fe69  1  0.770405  0.770905  0.427079  1
  Fe  Fe70  1  0.769439  0.228225  0.482629  1
  Fe  Fe71  1  0.269470  0.818322  0.432927  1
  Fe  Fe72  1  0.268834  0.275607  0.488419  1
  Fe  Fe73  1  0.244059  0.985713  0.392492  1
  Fe  Fe74  1  0.245217  0.442970  0.447929  1
  Fe  Fe75  1  0.745447  0.146416  0.411813  1
  Fe  Fe76  1  0.744046  0.603545  0.467530  1
  Fe  Fe77  1  0.757577  0.874870  0.439759  1
  Fe  Fe78  1  0.754974  0.332195  0.495248  1
  Fe  Fe79  1  0.256391  0.714247  0.420272  1
  Fe  Fe80  1  0.255551  0.171759  0.475766  1
  Fe  Fe81  1  0.413189  0.808702  0.492395  1
  Fe  Fe82  1  0.412308  0.351251  0.436846  1
  Fe  Fe83  1  0.912322  0.695296  0.478651  1
  Fe  Fe84  1  0.912201  0.237971  0.423081  1
  Fe  Fe85  1  0.588979  0.966714  0.450828  1
  Fe  Fe86  1  0.587848  0.509349  0.395216  1
  Fe  Fe87  1  0.087807  0.080046  0.464572  1
  Fe  Fe88  1  0.089334  0.622576  0.409257  1
  Fe  Fe89  1  0.119578  0.016713  0.433540  1
  Fe  Fe90  1  0.119474  0.473774  0.489113  1
  Fe  Fe91  1  0.620059  0.030167  0.481834  1
  Fe  Fe92  1  0.620250  0.572716  0.426335  1
  Fe  Fe93  1  0.881814  0.791496  0.467012  1
  Fe  Fe94  1  0.880659  0.334153  0.411415  1
  Fe  Fe95  1  0.382810  0.797804  0.392945  1
  Fe  Fe96  1  0.381123  0.255044  0.448416  1
  Fe  Fe97  1  0.755332  0.939937  0.408483  1
  Fe  Fe98  1  0.755147  0.397175  0.463968  1
  Fe  Fe99  1  0.255108  0.191999  0.395836  1
  Fe  Fe100  1  0.255862  0.649256  0.451460  1
  Fe  Fe101  1  0.246173  0.890441  0.463181  1
  Fe  Fe102  1  0.245038  0.433130  0.407602  1
  Fe  Fe103  1  0.746897  0.699025  0.396792  1
  Fe  Fe104  1  0.745025  0.156354  0.452258  1
  Fe  Fe105  1  0.245604  0.920617  0.423655  1
  Fe  Fe106  1  0.244756  0.377936  0.479212  1
  Fe  Fe107  1  0.745711  0.668565  0.436282  1
  Fe  Fe108  1  0.745046  0.125887  0.491762  1
  Fe  Fe109  1  0.755942  0.884982  0.480047  1
  Fe  Fe110  1  0.755110  0.427635  0.424477  1
  Fe  Fe111  1  0.254951  0.161781  0.435357  1
  Fe  Fe112  1  0.254810  0.619050  0.490972  1
  Fe  Fe113  1  0.619711  0.977549  0.550353  1
  Fe  Fe114  1  0.618024  0.434789  0.605824  1
  Fe  Fe115  1  0.120175  0.898440  0.587354  1
  Fe  Fe116  1  0.119020  0.441097  0.531756  1
  Fe  Fe117  1  0.380584  0.659877  0.572434  1
  Fe  Fe118  1  0.380775  0.202426  0.516935  1
  Fe  Fe119  1  0.881360  0.758818  0.509656  1
  Fe  Fe120  1  0.881256  0.215879  0.565229  1
  Fe  Fe121  1  0.231395  0.004368  0.516140  1
  Fe  Fe122  1  0.230429  0.461688  0.571690  1
  Fe  Fe123  1  0.732000  0.956986  0.510350  1
  Fe  Fe124  1  0.731364  0.414271  0.565842  1
  Fe  Fe125  1  0.768251  0.685685  0.538096  1
  Fe  Fe126  1  0.770904  0.142812  0.593759  1
  Fe  Fe127  1  0.270278  0.733084  0.543989  1
  Fe  Fe128  1  0.270371  0.190150  0.599496  1
  Fe  Fe129  1  0.245860  0.900398  0.503521  1
  Fe  Fe130  1  0.243257  0.357723  0.559010  1
  Fe  Fe131  1  0.745283  0.060833  0.523003  1
  Fe  Fe132  1  0.744443  0.518346  0.578497  1
  Fe  Fe133  1  0.755617  0.789622  0.550840  1
  Fe  Fe134  1  0.756775  0.246880  0.606277  1
  Fe  Fe135  1  0.256788  0.629048  0.531238  1
  Fe  Fe136  1  0.255387  0.086177  0.586956  1
  Fe  Fe137  1  0.412986  0.723244  0.603553  1
  Fe  Fe138  1  0.411855  0.265879  0.547941  1
  Fe  Fe139  1  0.911500  0.610017  0.589512  1
  Fe  Fe140  1  0.913027  0.152547  0.534197  1
  Fe  Fe141  1  0.588526  0.881342  0.561923  1
  Fe  Fe142  1  0.587645  0.423891  0.506374  1
  Fe  Fe143  1  0.088633  0.994622  0.575688  1
  Fe  Fe144  1  0.088512  0.537296  0.520118  1
  Fe  Fe145  1  0.120468  0.931157  0.544702  1
  Fe  Fe146  1  0.118970  0.388468  0.600155  1
  Fe  Fe147  1  0.620923  0.944657  0.592978  1
  Fe  Fe148  1  0.619301  0.487296  0.537400  1
  Fe  Fe149  1  0.881960  0.706137  0.578071  1
  Fe  Fe150  1  0.880776  0.248757  0.522514  1
  Fe  Fe151  1  0.381257  0.712517  0.504064  1
  Fe  Fe152  1  0.381894  0.169642  0.559585  1
  Fe  Fe153  1  0.756078  0.854657  0.519557  1
  Fe  Fe154  1  0.755230  0.311976  0.575114  1
  Fe  Fe155  1  0.255788  0.106705  0.507007  1
  Fe  Fe156  1  0.255123  0.564028  0.562486  1
  Fe  Fe157  1  0.245723  0.804958  0.574292  1
  Fe  Fe158  1  0.244892  0.347611  0.518722  1
  Fe  Fe159  1  0.746024  0.613542  0.507797  1
  Fe  Fe160  1  0.745883  0.070812  0.563412  1
  Fe  Fe161  1  0.245687  0.835418  0.534801  1
  Fe  Fe162  1  0.245502  0.292655  0.590286  1
  Fe  Fe163  1  0.744972  0.583336  0.547309  1
  Fe  Fe164  1  0.745726  0.040594  0.602933  1
  Fe  Fe165  1  0.755796  0.799463  0.591167  1
  Fe  Fe166  1  0.754661  0.342151  0.535588  1
  Fe  Fe167  1  0.255809  0.076239  0.546511  1
  Fe  Fe168  1  0.253937  0.533568  0.601977  1
  Fe  Fe169  1  0.621529  0.891897  0.661593  1
  Fe  Fe170  1  0.626296  0.348744  0.717492  1
  Fe  Fe171  1  0.105483  0.813372  0.699308  1
  Fe  Fe172  1  0.118734  0.355831  0.642943  1
  Fe  Fe173  1  0.377087  0.573598  0.683448  1
  Fe  Fe174  1  0.381448  0.117165  0.628132  1
  Fe  Fe175  1  0.881222  0.673099  0.620706  1
  Fe  Fe176  1  0.892657  0.129348  0.676554  1
  Fe  Fe177  1  0.234024  0.919073  0.627122  1
  Fe  Fe178  1  0.237231  0.376505  0.681852  1
  Fe  Fe179  1  0.734307  0.871628  0.621287  1
  Fe  Fe180  1  0.733876  0.328652  0.676436  1
  Fe  Fe181  1  0.766511  0.599820  0.648761  1
  Fe  Fe182  1  0.763233  0.058137  0.703478  1
  Fe  Fe183  1  0.260949  0.647815  0.654336  1
  Fe  Fe184  1  0.265814  0.106624  0.709262  1
  Fe  Fe185  1  0.245256  0.814916  0.614557  1
  Fe  Fe186  1  0.244661  0.272273  0.670101  1
  Fe  Fe187  1  0.744659  0.975514  0.634034  1
  Fe  Fe188  1  0.737540  0.431899  0.689485  1
  Fe  Fe189  1  0.758382  0.704796  0.661827  1
  Fe  Fe190  1  0.727824  0.164153  0.719128  1
  Fe  Fe191  1  0.251371  0.543309  0.642484  1
  Fe  Fe192  1  0.255297  0.999557  0.698655  1
  Fe  Fe193  1  0.418823  0.637542  0.713643  1
  Fe  Fe194  1  0.412065  0.180737  0.658947  1
  Fe  Fe195  1  0.905577  0.524950  0.700734  1
  Fe  Fe196  1  0.913944  0.066925  0.645394  1
  Fe  Fe197  1  0.593002  0.795765  0.672640  1
  Fe  Fe198  1  0.589041  0.338580  0.617271  1
  Fe  Fe199  1  0.094796  0.908586  0.686350  1
  Fe  Fe200  1  0.085579  0.451844  0.631217  1
  Fe  Fe201  1  0.121381  0.845660  0.655793  1
  Fe  Fe202  1  0.126899  0.302884  0.712637  1
  Fe  Fe203  1  0.608564  0.857689  0.704503  1
  Fe  Fe204  1  0.615849  0.401768  0.648318  1
  Fe  Fe205  1  0.879733  0.621231  0.689321  1
  Fe  Fe206  1  0.882269  0.163372  0.633814  1
  Fe  Fe207  1  0.381521  0.627101  0.615164  1
  Fe  Fe208  1  0.387300  0.084402  0.670953  1
  Fe  Fe209  1  0.757920  0.769560  0.630791  1
  Fe  Fe210  1  0.756896  0.227516  0.686453  1
  Fe  Fe211  1  0.256528  0.021309  0.618193  1
  Fe  Fe212  1  0.250874  0.478747  0.673442  1
  Fe  Fe213  1  0.245042  0.717992  0.685577  1
  Fe  Fe214  1  0.244373  0.261691  0.629809  1
  Fe  Fe215  1  0.744070  0.528069  0.618889  1
  Fe  Fe216  1  0.747666  0.985011  0.674299  1
  Fe  Fe217  1  0.246753  0.750216  0.645828  1
  Fe  Fe218  1  0.257033  0.207759  0.701396  1
  Fe  Fe219  1  0.741907  0.497761  0.658411  1
  Fe  Fe220  1  0.745248  0.956379  0.714479  1
  Fe  Fe221  1  0.791156  0.723644  0.706271  1
  Fe  Fe222  1  0.756436  0.256634  0.646744  1
  Fe  Fe223  1  0.260351  0.989855  0.657609  1
  Fe  Fe224  1  0.262765  0.445553  0.713633  1
  C  C225  1  0.479258  0.188002  0.356141  1
  C  C226  1  0.485641  0.731534  0.300698  1
  C  C227  1  0.980822  0.029598  0.336706  1
  C  C228  1  0.973823  0.573509  0.281157  1
  C  C229  1  0.523429  0.757968  0.364847  1
  C  C230  1  0.515460  0.301030  0.308874  1
  C  C231  1  0.019765  0.916737  0.383997  1
  C  C232  1  0.015273  0.459464  0.328155  1
  C  C233  1  0.974391  0.184983  0.321222  1
  C  C234  1  0.982756  0.640948  0.376892  1
  C  C235  1  0.481222  0.034132  0.372232  1
  C  C236  1  0.484072  0.578002  0.317790  1
  C  C237  1  0.022676  0.811367  0.336690  1
  C  C238  1  0.030414  0.351220  0.281526  1
  C  C239  1  0.517449  0.947225  0.301322  1
  C  C240  1  0.516568  0.405441  0.356821  1
  C  C241  1  0.015454  0.849213  0.290015  1
  C  C242  1  0.017219  0.305613  0.344669  1
  C  C243  1  0.519113  0.912478  0.349160  1
  C  C244  1  0.531971  0.456199  0.294318  1
  C  C245  1  0.982551  0.134706  0.384263  1
  C  C246  1  0.988535  0.676948  0.328893  1
  C  C247  1  0.471859  0.082027  0.309151  1
  C  C248  1  0.482024  0.540045  0.364323  1
  C  C249  1  0.479690  0.102718  0.467342  1
  C  C250  1  0.481277  0.645331  0.411799  1
  C  C251  1  0.980959  0.944088  0.448087  1
  C  C252  1  0.979981  0.486797  0.392499  1
  C  C253  1  0.520336  0.672681  0.475913  1
  C  C254  1  0.520365  0.215331  0.420240  1
  C  C255  1  0.021296  0.831377  0.495141  1
  C  C256  1  0.020441  0.373979  0.439546  1
  C  C257  1  0.982106  0.098074  0.432144  1
  C  C258  1  0.982819  0.555197  0.487680  1
  C  C259  1  0.483387  0.948745  0.483265  1
  C  C260  1  0.482370  0.491374  0.427659  1
  C  C261  1  0.018363  0.725955  0.447764  1
  C  C262  1  0.016840  0.268587  0.392157  1
  C  C263  1  0.518815  0.863154  0.412321  1
  C  C264  1  0.517204  0.320483  0.467743  1
  C  C265  1  0.019531  0.762769  0.400021  1
  C  C266  1  0.017770  0.220071  0.455521  1
  C  C267  1  0.518758  0.826677  0.459961  1
  C  C268  1  0.517413  0.369311  0.404410  1
  C  C269  1  0.983158  0.049359  0.495490  1
  C  C270  1  0.982935  0.591762  0.440103  1
  C  C271  1  0.482783  0.997372  0.419942  1
  C  C272  1  0.482589  0.454562  0.475466  1
  C  C273  1  0.480469  0.017261  0.578528  1
  C  C274  1  0.480498  0.559911  0.522856  1
  C  C275  1  0.980393  0.858614  0.559223  1
  C  C276  1  0.979538  0.401215  0.503628  1
  C  C277  1  0.519557  0.587261  0.586970  1
  C  C278  1  0.521144  0.129874  0.531427  1
  C  C279  1  0.020852  0.745796  0.606270  1
  C  C280  1  0.019875  0.288505  0.550682  1
  C  C281  1  0.983064  0.012521  0.543248  1
  C  C282  1  0.981303  0.469824  0.598748  1
  C  C283  1  0.483421  0.863281  0.594359  1
  C  C284  1  0.482076  0.405916  0.538807  1
  C  C285  1  0.017899  0.640830  0.558666  1
  C  C286  1  0.017676  0.183233  0.503279  1
  C  C287  1  0.518245  0.778031  0.523303  1
  C  C288  1  0.518051  0.235220  0.578827  1
  C  C289  1  0.018015  0.677396  0.511089  1
  C  C290  1  0.018728  0.134518  0.566625  1
  C  C291  1  0.518464  0.741218  0.571109  1
  C  C292  1  0.517447  0.283847  0.515504  1
  C  C293  1  0.983994  0.964006  0.606612  1
  C  C294  1  0.982471  0.506637  0.551005  1
  C  C295  1  0.483630  0.912109  0.531026  1
  C  C296  1  0.482019  0.369439  0.586448  1
  C  C297  1  0.485374  0.931563  0.689895  1
  C  C298  1  0.477404  0.474625  0.633922  1
  C  C299  1  0.985561  0.773129  0.670614  1
  C  C300  1  0.981069  0.315856  0.614772  1
  C  C301  1  0.515193  0.501059  0.698071  1
  C  C302  1  0.521576  0.044591  0.642628  1
  C  C303  1  0.027011  0.659084  0.717612  1
  C  C304  1  0.020012  0.202995  0.662063  1
  C  C305  1  0.983615  0.926980  0.654100  1
  C  C306  1  0.985380  0.383380  0.708754  1
  C  C307  1  0.468863  0.776394  0.704451  1
  C  C308  1  0.481721  0.320115  0.649609  1
  C  C309  1  0.012299  0.555645  0.669876  1
  C  C310  1  0.018283  0.097887  0.614506  1
  C  C311  1  0.518810  0.692547  0.634446  1
  C  C312  1  0.528975  0.150566  0.689618  1
  C  C313  1  0.018078  0.591644  0.621877  1
  C  C314  1  0.026443  0.047610  0.677547  1
  C  C315  1  0.516762  0.654591  0.680979  1
  C  C316  1  0.519612  0.198460  0.626537  1
  C  C317  1  0.970420  0.881373  0.717243  1
  C  C318  1  0.978158  0.421226  0.662079  1
  C  C319  1  0.484266  0.827152  0.641948  1
  C  C320  1  0.483385  0.285368  0.697446  1
