# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.62758233
_cell_length_b   10.54336418
_cell_length_c   49.71663942
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   123.37547101
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7C3
_chemical_formula_sum   'Fe196 C84'
_cell_volume   5089.79481617
_cell_formula_units_Z   28
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  0.032631  0.452086  0.288839  1
  Fe  Fe2  1  0.246845  0.889940  0.319924  1
  Fe  Fe3  1  0.882735  0.726007  0.281971  1
  Fe  Fe4  1  0.100791  0.148601  0.313871  1
  Fe  Fe5  1  0.665012  0.710119  0.333467  1
  Fe  Fe6  1  0.451412  0.286387  0.300916  1
  Fe  Fe7  1  0.639201  0.554678  0.295582  1
  Fe  Fe8  1  0.856800  0.977141  0.326266  1
  Fe  Fe9  1  0.434788  0.494938  0.317733  1
  Fe  Fe10  1  0.232771  0.067814  0.286413  1
  Fe  Fe11  1  0.731536  0.822234  0.286256  1
  Fe  Fe12  1  0.929862  0.245185  0.320854  1
  Fe  Fe13  1  0.515663  0.761770  0.311020  1
  Fe  Fe14  1  0.721277  0.189326  0.342123  1
  Fe  Fe15  1  0.921521  0.459484  0.335970  1
  Fe  Fe16  1  0.702125  0.033734  0.302170  1
  Fe  Fe17  1  0.653219  0.363109  0.330344  1
  Fe  Fe18  1  0.444778  0.937924  0.297260  1
  Fe  Fe19  1  0.837878  0.622156  0.325329  1
  Fe  Fe20  1  0.629412  0.203029  0.293314  1
  Fe  Fe21  1  0.035143  0.676077  0.304255  1
  Fe  Fe22  1  0.244585  0.096390  0.335738  1
  Fe  Fe23  1  0.178635  0.408751  0.309847  1
  Fe  Fe24  1  0.391678  0.836453  0.340708  1
  Fe  Fe25  1  0.817415  0.456197  0.286664  1
  Fe  Fe26  1  0.024750  0.889567  0.321563  1
  Fe  Fe27  1  0.247931  0.671248  0.303001  1
  Fe  Fe28  1  0.470371  0.100095  0.337142  1
  Fe  Fe29  1  0.459429  0.311391  0.351366  1
  Fe  Fe30  1  0.674156  0.741377  0.382530  1
  Fe  Fe31  1  0.315531  0.577066  0.345733  1
  Fe  Fe32  1  0.529344  0.004546  0.376586  1
  Fe  Fe33  1  0.093560  0.566340  0.396140  1
  Fe  Fe34  1  0.880508  0.137947  0.364680  1
  Fe  Fe35  1  0.074716  0.404256  0.357556  1
  Fe  Fe36  1  0.286269  0.832183  0.389365  1
  Fe  Fe37  1  0.864968  0.351537  0.380314  1
  Fe  Fe38  1  0.652017  0.924852  0.348612  1
  Fe  Fe39  1  0.144859  0.670348  0.350714  1
  Fe  Fe40  1  0.359730  0.097327  0.381959  1
  Fe  Fe41  1  0.939454  0.618804  0.373524  1
  Fe  Fe42  1  0.151777  0.045328  0.404783  1
  Fe  Fe43  1  0.344643  0.311667  0.397614  1
  Fe  Fe44  1  0.131611  0.882635  0.366657  1
  Fe  Fe45  1  0.083480  0.219182  0.392330  1
  Fe  Fe46  1  0.867917  0.789560  0.361400  1
  Fe  Fe47  1  0.266073  0.479775  0.388326  1
  Fe  Fe48  1  0.051456  0.049340  0.357075  1
  Fe  Fe49  1  0.459030  0.526715  0.367017  1
  Fe  Fe50  1  0.674018  0.954238  0.397996  1
  Fe  Fe51  1  0.607698  0.266352  0.373117  1
  Fe  Fe52  1  0.818988  0.691254  0.403633  1
  Fe  Fe53  1  0.239881  0.311349  0.351132  1
  Fe  Fe54  1  0.452569  0.739937  0.382406  1
  Fe  Fe55  1  0.677976  0.525164  0.366527  1
  Fe  Fe56  1  0.892572  0.952677  0.397559  1
  Fe  Fe57  1  0.888265  0.170082  0.413624  1
  Fe  Fe58  1  0.101485  0.596338  0.444993  1
  Fe  Fe59  1  0.742732  0.432892  0.408030  1
  Fe  Fe60  1  0.957305  0.860648  0.439314  1
  Fe  Fe61  1  0.521044  0.421138  0.458687  1
  Fe  Fe62  1  0.307641  0.994418  0.427163  1
  Fe  Fe63  1  0.500758  0.258999  0.420252  1
  Fe  Fe64  1  0.715142  0.687730  0.451601  1
  Fe  Fe65  1  0.293953  0.207984  0.442874  1
  Fe  Fe66  1  0.079570  0.779633  0.411888  1
  Fe  Fe67  1  0.573017  0.525774  0.413463  1
  Fe  Fe68  1  0.787478  0.953707  0.444520  1
  Fe  Fe69  1  0.366084  0.473308  0.435962  1
  Fe  Fe70  1  0.580419  0.901153  0.467054  1
  Fe  Fe71  1  0.773483  0.166741  0.460097  1
  Fe  Fe72  1  0.560324  0.739548  0.429132  1
  Fe  Fe73  1  0.510525  0.073338  0.454854  1
  Fe  Fe74  1  0.296681  0.646533  0.423710  1
  Fe  Fe75  1  0.693697  0.333016  0.450420  1
  Fe  Fe76  1  0.479885  0.905012  0.419236  1
  Fe  Fe77  1  0.888035  0.382285  0.429282  1
  Fe  Fe78  1  0.101679  0.810376  0.460621  1
  Fe  Fe79  1  0.032723  0.119215  0.434734  1
  Fe  Fe80  1  0.247003  0.547384  0.466083  1
  Fe  Fe81  1  0.667473  0.166912  0.413212  1
  Fe  Fe82  1  0.880630  0.594899  0.444782  1
  Fe  Fe83  1  0.106415  0.381059  0.428871  1
  Fe  Fe84  1  0.321539  0.808886  0.460614  1
  Fe  Fe85  1  0.315907  0.024145  0.476168  1
  Fe  Fe86  1  0.529700  0.452674  0.507514  1
  Fe  Fe87  1  0.170453  0.287696  0.470542  1
  Fe  Fe88  1  0.384262  0.714828  0.501728  1
  Fe  Fe89  1  0.949431  0.277029  0.521181  1
  Fe  Fe90  1  0.735186  0.849386  0.489726  1
  Fe  Fe91  1  0.928359  0.115630  0.482794  1
  Fe  Fe92  1  0.141956  0.542899  0.514115  1
  Fe  Fe93  1  0.720932  0.062626  0.505461  1
  Fe  Fe94  1  0.507754  0.635042  0.474136  1
  Fe  Fe95  1  0.000856  0.380815  0.475787  1
  Fe  Fe96  1  0.215055  0.808972  0.506982  1
  Fe  Fe97  1  0.794036  0.328729  0.498367  1
  Fe  Fe98  1  0.008050  0.756458  0.529641  1
  Fe  Fe99  1  0.201531  0.022815  0.522676  1
  Fe  Fe100  1  0.986962  0.594745  0.491314  1
  Fe  Fe101  1  0.937607  0.928558  0.517360  1
  Fe  Fe102  1  0.724343  0.501171  0.486177  1
  Fe  Fe103  1  0.121425  0.189041  0.513011  1
  Fe  Fe104  1  0.907809  0.761731  0.481819  1
  Fe  Fe105  1  0.315659  0.237755  0.491740  1
  Fe  Fe106  1  0.529860  0.665788  0.523017  1
  Fe  Fe107  1  0.461400  0.975359  0.497385  1
  Fe  Fe108  1  0.674941  0.403049  0.528585  1
  Fe  Fe109  1  0.095028  0.023165  0.476038  1
  Fe  Fe110  1  0.308749  0.451087  0.507238  1
  Fe  Fe111  1  0.535136  0.236485  0.491548  1
  Fe  Fe112  1  0.748642  0.663885  0.522939  1
  Fe  Fe113  1  0.743136  0.879838  0.538634  1
  Fe  Fe114  1  0.957387  0.308672  0.570061  1
  Fe  Fe115  1  0.598629  0.143981  0.532972  1
  Fe  Fe116  1  0.812234  0.570558  0.564262  1
  Fe  Fe117  1  0.377483  0.132654  0.583660  1
  Fe  Fe118  1  0.162851  0.705436  0.552135  1
  Fe  Fe119  1  0.356868  0.970874  0.545235  1
  Fe  Fe120  1  0.569434  0.398428  0.576703  1
  Fe  Fe121  1  0.149432  0.918435  0.567718  1
  Fe  Fe122  1  0.935508  0.490969  0.536677  1
  Fe  Fe123  1  0.428560  0.236472  0.538257  1
  Fe  Fe124  1  0.642901  0.664205  0.569600  1
  Fe  Fe125  1  0.221253  0.184329  0.560716  1
  Fe  Fe126  1  0.436512  0.611606  0.592152  1
  Fe  Fe127  1  0.629268  0.878681  0.584906  1
  Fe  Fe128  1  0.414809  0.449723  0.553932  1
  Fe  Fe129  1  0.364769  0.783343  0.579676  1
  Fe  Fe130  1  0.152817  0.357898  0.548677  1
  Fe  Fe131  1  0.549093  0.044748  0.575404  1
  Fe  Fe132  1  0.335441  0.616658  0.544247  1
  Fe  Fe133  1  0.744100  0.094161  0.554346  1
  Fe  Fe134  1  0.958189  0.522065  0.585709  1
  Fe  Fe135  1  0.888584  0.830142  0.559738  1
  Fe  Fe136  1  0.102606  0.258286  0.591030  1
  Fe  Fe137  1  0.522523  0.877567  0.538408  1
  Fe  Fe138  1  0.736757  0.306828  0.569639  1
  Fe  Fe139  1  0.962913  0.092152  0.554046  1
  Fe  Fe140  1  0.176751  0.519589  0.585457  1
  Fe  Fe141  1  0.170860  0.735159  0.600961  1
  Fe  Fe142  1  0.385424  0.163034  0.632135  1
  Fe  Fe143  1  0.026187  0.997728  0.595292  1
  Fe  Fe144  1  0.241380  0.430143  0.626850  1
  Fe  Fe145  1  0.802344  0.988335  0.645108  1
  Fe  Fe146  1  0.591670  0.562126  0.614903  1
  Fe  Fe147  1  0.783894  0.826029  0.607704  1
  Fe  Fe148  1  0.999811  0.253602  0.639067  1
  Fe  Fe149  1  0.579549  0.776047  0.629937  1
  Fe  Fe150  1  0.362263  0.346113  0.599575  1
  Fe  Fe151  1  0.856195  0.092363  0.600535  1
  Fe  Fe152  1  0.070371  0.519636  0.632108  1
  Fe  Fe153  1  0.647251  0.039484  0.623184  1
  Fe  Fe154  1  0.862744  0.467429  0.654812  1
  Fe  Fe155  1  0.057076  0.734755  0.647498  1
  Fe  Fe156  1  0.843076  0.305663  0.616421  1
  Fe  Fe157  1  0.794151  0.640152  0.642787  1
  Fe  Fe158  1  0.580327  0.214155  0.611086  1
  Fe  Fe159  1  0.978867  0.901109  0.637950  1
  Fe  Fe160  1  0.763248  0.471833  0.606755  1
  Fe  Fe161  1  0.170988  0.948543  0.616464  1
  Fe  Fe162  1  0.386204  0.380253  0.648586  1
  Fe  Fe163  1  0.315728  0.685737  0.622117  1
  Fe  Fe164  1  0.530105  0.115493  0.653756  1
  Fe  Fe165  1  0.950620  0.733405  0.601042  1
  Fe  Fe166  1  0.163874  0.163064  0.631794  1
  Fe  Fe167  1  0.391196  0.947635  0.616454  1
  Fe  Fe168  1  0.605094  0.375654  0.648039  1
  Fe  Fe169  1  0.600886  0.592983  0.663974  1
  Fe  Fe170  1  0.810867  0.010462  0.694012  1
  Fe  Fe171  1  0.452497  0.852610  0.657534  1
  Fe  Fe172  1  0.665194  0.279018  0.689188  1
  Fe  Fe173  1  0.241360  0.841255  0.711131  1
  Fe  Fe174  1  0.017402  0.410234  0.677226  1
  Fe  Fe175  1  0.206487  0.681428  0.670142  1
  Fe  Fe176  1  0.425914  0.108448  0.700936  1
  Fe  Fe177  1  0.992179  0.623385  0.695351  1
  Fe  Fe178  1  0.791858  0.200115  0.660855  1
  Fe  Fe179  1  0.284839  0.948050  0.663025  1
  Fe  Fe180  1  0.497136  0.379948  0.693513  1
  Fe  Fe181  1  0.084006  0.894734  0.685202  1
  Fe  Fe182  1  0.284550  0.320454  0.716247  1
  Fe  Fe183  1  0.488074  0.590228  0.710647  1
  Fe  Fe184  1  0.269398  0.162982  0.678941  1
  Fe  Fe185  1  0.206162  0.483951  0.705604  1
  Fe  Fe186  1  0.005194  0.061891  0.672783  1
  Fe  Fe187  1  0.397798  0.750903  0.701023  1
  Fe  Fe188  1  0.189798  0.328170  0.669333  1
  Fe  Fe189  1  0.595302  0.802093  0.678626  1
  Fe  Fe190  1  0.811039  0.225345  0.710451  1
  Fe  Fe191  1  0.752427  0.546839  0.687937  1
  Fe  Fe192  1  0.964738  0.952173  0.716741  1
  Fe  Fe193  1  0.379482  0.595631  0.663262  1
  Fe  Fe194  1  0.592147  0.022282  0.694116  1
  Fe  Fe195  1  0.822648  0.807741  0.678848  1
  Fe  Fe196  1  0.024100  0.221676  0.710676  1
  C  C197  1  0.807746  0.305339  0.310016  1
  C  C198  1  0.020013  0.728061  0.340570  1
  C  C199  1  0.351957  0.581257  0.297796  1
  C  C200  1  0.565789  0.004447  0.327836  1
  C  C201  1  0.101921  0.514897  0.324810  1
  C  C202  1  0.887276  0.093609  0.294165  1
  C  C203  1  0.297774  0.280238  0.316933  1
  C  C204  1  0.078462  0.860101  0.286787  1
  C  C205  1  0.624535  0.375000  0.282423  1
  C  C206  1  0.832643  0.792229  0.313271  1
  C  C207  1  0.588187  0.495591  0.332470  1
  C  C208  1  0.386325  0.074890  0.302593  1
  C  C209  1  0.234253  0.154211  0.371889  1
  C  C210  1  0.448695  0.583952  0.403214  1
  C  C211  1  0.780603  0.434622  0.359934  1
  C  C212  1  0.993734  0.860153  0.391250  1
  C  C213  1  0.527107  0.369458  0.387544  1
  C  C214  1  0.313594  0.939846  0.356276  1
  C  C215  1  0.726478  0.137400  0.378998  1
  C  C216  1  0.512516  0.710865  0.348273  1
  C  C217  1  0.046928  0.218361  0.344125  1
  C  C218  1  0.259693  0.647793  0.375464  1
  C  C219  1  0.019334  0.352491  0.394526  1
  C  C220  1  0.804502  0.923635  0.363312  1
  C  C221  1  0.662457  0.010773  0.434186  1
  C  C222  1  0.875993  0.438174  0.465490  1
  C  C223  1  0.207482  0.288537  0.422461  1
  C  C224  1  0.421821  0.715989  0.453659  1
  C  C225  1  0.955859  0.224772  0.449866  1
  C  C226  1  0.742330  0.797112  0.418717  1
  C  C227  1  0.154352  0.994157  0.441822  1
  C  C228  1  0.939797  0.565916  0.410545  1
  C  C229  1  0.474138  0.073916  0.406673  1
  C  C230  1  0.687419  0.501996  0.438112  1
  C  C231  1  0.447192  0.207336  0.457289  1
  C  C232  1  0.233340  0.780419  0.426411  1
  C  C233  1  0.090210  0.866593  0.496831  1
  C  C234  1  0.304056  0.294277  0.527923  1
  C  C235  1  0.635820  0.143849  0.484789  1
  C  C236  1  0.849609  0.571650  0.516111  1
  C  C237  1  0.383644  0.080285  0.512374  1
  C  C238  1  0.169269  0.652070  0.481201  1
  C  C239  1  0.581304  0.848859  0.504100  1
  C  C240  1  0.367491  0.421444  0.473010  1
  C  C241  1  0.901954  0.930592  0.469265  1
  C  C242  1  0.115565  0.357991  0.500517  1
  C  C243  1  0.874806  0.063037  0.519807  1
  C  C244  1  0.661450  0.635566  0.488619  1
  C  C245  1  0.517832  0.721223  0.559259  1
  C  C246  1  0.731316  0.150116  0.590502  1
  C  C247  1  0.063113  0.998985  0.547255  1
  C  C248  1  0.277516  0.427058  0.578697  1
  C  C249  1  0.811444  0.935512  0.574815  1
  C  C250  1  0.597190  0.507581  0.543760  1
  C  C251  1  0.009234  0.704781  0.566710  1
  C  C252  1  0.795703  0.277250  0.535427  1
  C  C253  1  0.329465  0.785416  0.531670  1
  C  C254  1  0.543566  0.214002  0.562963  1
  C  C255  1  0.302911  0.918658  0.582241  1
  C  C256  1  0.089216  0.491622  0.551191  1
  C  C257  1  0.945265  0.576862  0.621949  1
  C  C258  1  0.162247  0.008272  0.652554  1
  C  C259  1  0.490521  0.853599  0.609524  1
  C  C260  1  0.705158  0.282471  0.641068  1
  C  C261  1  0.238895  0.791552  0.637139  1
  C  C262  1  0.025393  0.363196  0.606281  1
  C  C263  1  0.438488  0.562671  0.629362  1
  C  C264  1  0.223166  0.132294  0.597724  1
  C  C265  1  0.757565  0.640889  0.594267  1
  C  C266  1  0.970328  0.067840  0.625131  1
  C  C267  1  0.731899  0.775270  0.644828  1
  C  C268  1  0.517122  0.348159  0.613825  1
  C  C269  1  0.372068  0.438869  0.684444  1
  C  C270  1  0.583393  0.862315  0.714480  1
  C  C271  1  0.920692  0.711750  0.672531  1
  C  C272  1  0.127421  0.132929  0.703186  1
  C  C273  1  0.671154  0.653743  0.699935  1
  C  C274  1  0.451139  0.219855  0.668441  1
  C  C275  1  0.862599  0.408162  0.691424  1
  C  C276  1  0.649372  0.987256  0.660183  1
  C  C277  1  0.185480  0.498349  0.656979  1
  C  C278  1  0.397959  0.922180  0.687668  1
  C  C279  1  0.150897  0.625436  0.706968  1
  C  C280  1  0.942491  0.196215  0.675809  1
