# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.63199726
_cell_length_b   8.02350249
_cell_length_c   49.58631692
_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   'Fe168 C72'
_cell_volume   4230.00323422
_cell_formula_units_Z   24
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  0.799687  0.613265  0.321120  1
  Fe  Fe2  1  0.702580  0.034118  0.313272  1
  Fe  Fe3  1  0.197369  0.022474  0.342175  1
  Fe  Fe4  1  0.298886  0.441434  0.332670  1
  Fe  Fe5  1  0.801571  0.200948  0.344669  1
  Fe  Fe6  1  0.698687  0.367226  0.307262  1
  Fe  Fe7  1  0.205015  0.015250  0.272648  1
  Fe  Fe8  1  0.302033  0.855401  0.309687  1
  Fe  Fe9  1  0.573294  0.192522  0.346206  1
  Fe  Fe10  1  0.925632  0.369320  0.307233  1
  Fe  Fe11  1  0.446974  0.007447  0.269274  1
  Fe  Fe12  1  0.077390  0.863780  0.308967  1
  Fe  Fe13  1  0.371871  0.484689  0.281048  1
  Fe  Fe14  1  0.125340  0.312513  0.319992  1
  Fe  Fe15  1  0.621958  0.751636  0.332829  1
  Fe  Fe16  1  0.877330  0.923272  0.295224  1
  Fe  Fe17  1  0.710453  0.760058  0.281237  1
  Fe  Fe18  1  0.786445  0.183345  0.274343  1
  Fe  Fe19  1  0.302032  0.192413  0.302528  1
  Fe  Fe20  1  0.195915  0.615773  0.295291  1
  Fe  Fe21  1  0.503729  0.477130  0.322119  1
  Fe  Fe22  1  0.991799  0.075329  0.333346  1
  Fe  Fe23  1  0.490769  0.977257  0.322347  1
  Fe  Fe24  1  0.009271  0.577238  0.331839  1
  Fe  Fe25  1  0.490245  0.716989  0.289711  1
  Fe  Fe26  1  0.008474  0.150663  0.282575  1
  Fe  Fe27  1  0.522240  0.219536  0.297499  1
  Fe  Fe28  1  0.982575  0.642742  0.282733  1
  Fe  Fe29  1  0.800521  0.267647  0.398426  1
  Fe  Fe30  1  0.698792  0.689794  0.389368  1
  Fe  Fe31  1  0.200066  0.677054  0.418525  1
  Fe  Fe32  1  0.300400  0.103624  0.409627  1
  Fe  Fe33  1  0.801309  0.855458  0.421633  1
  Fe  Fe34  1  0.697805  0.028144  0.383756  1
  Fe  Fe35  1  0.197443  0.684710  0.348165  1
  Fe  Fe36  1  0.301573  0.515484  0.386176  1
  Fe  Fe37  1  0.574120  0.851059  0.422927  1
  Fe  Fe38  1  0.923603  0.022550  0.384499  1
  Fe  Fe39  1  0.423466  0.689723  0.346761  1
  Fe  Fe40  1  0.074155  0.518012  0.385475  1
  Fe  Fe41  1  0.373309  0.135012  0.359347  1
  Fe  Fe42  1  0.124767  0.964976  0.397492  1
  Fe  Fe43  1  0.626441  0.404439  0.410935  1
  Fe  Fe44  1  0.873778  0.575528  0.372416  1
  Fe  Fe45  1  0.699623  0.441069  0.360074  1
  Fe  Fe46  1  0.801365  0.862569  0.350661  1
  Fe  Fe47  1  0.298537  0.850361  0.380803  1
  Fe  Fe48  1  0.199623  0.273005  0.371553  1
  Fe  Fe49  1  0.507706  0.136666  0.399043  1
  Fe  Fe50  1  0.990922  0.730657  0.409975  1
  Fe  Fe51  1  0.492179  0.639699  0.397420  1
  Fe  Fe52  1  0.006908  0.233667  0.409612  1
  Fe  Fe53  1  0.492361  0.408668  0.370535  1
  Fe  Fe54  1  0.007175  0.811365  0.359411  1
  Fe  Fe55  1  0.506122  0.902799  0.371675  1
  Fe  Fe56  1  0.990999  0.309490  0.360461  1
  Fe  Fe57  1  0.800439  0.922918  0.475456  1
  Fe  Fe58  1  0.699582  0.347700  0.466577  1
  Fe  Fe59  1  0.199059  0.332476  0.495637  1
  Fe  Fe60  1  0.300236  0.756949  0.486632  1
  Fe  Fe61  1  0.801814  0.509839  0.498928  1
  Fe  Fe62  1  0.697816  0.682234  0.460295  1
  Fe  Fe63  1  0.198409  0.342153  0.424801  1
  Fe  Fe64  1  0.301936  0.170098  0.463204  1
  Fe  Fe65  1  0.573686  0.505062  0.499825  1
  Fe  Fe66  1  0.926024  0.678739  0.461359  1
  Fe  Fe67  1  0.425742  0.347083  0.423819  1
  Fe  Fe68  1  0.074249  0.175119  0.462252  1
  Fe  Fe69  1  0.373835  0.792911  0.435896  1
  Fe  Fe70  1  0.126155  0.621004  0.474172  1
  Fe  Fe71  1  0.626047  0.059224  0.487858  1
  Fe  Fe72  1  0.873954  0.232859  0.449422  1
  Fe  Fe73  1  0.699068  0.095641  0.437080  1
  Fe  Fe74  1  0.800164  0.520350  0.428158  1
  Fe  Fe75  1  0.301084  0.505876  0.456758  1
  Fe  Fe76  1  0.199234  0.929136  0.448269  1
  Fe  Fe77  1  0.507339  0.790725  0.475881  1
  Fe  Fe78  1  0.992600  0.385640  0.486951  1
  Fe  Fe79  1  0.492353  0.294209  0.475222  1
  Fe  Fe80  1  0.007670  0.888537  0.486130  1
  Fe  Fe81  1  0.492547  0.061798  0.447906  1
  Fe  Fe82  1  0.007672  0.466554  0.436777  1
  Fe  Fe83  1  0.507451  0.558332  0.448499  1
  Fe  Fe84  1  0.992324  0.963183  0.437337  1
  Fe  Fe85  1  0.800382  0.577637  0.552293  1
  Fe  Fe86  1  0.698532  0.000897  0.543804  1
  Fe  Fe87  1  0.199452  0.986422  0.572404  1
  Fe  Fe88  1  0.300548  0.411132  0.563481  1
  Fe  Fe89  1  0.801207  0.164620  0.575761  1
  Fe  Fe90  1  0.697680  0.336675  0.537358  1
  Fe  Fe91  1  0.197802  0.996934  0.501634  1
  Fe  Fe92  1  0.301800  0.824539  0.540267  1
  Fe  Fe93  1  0.573874  0.159689  0.576743  1
  Fe  Fe94  1  0.925367  0.331653  0.538310  1
  Fe  Fe95  1  0.425930  0.001710  0.500736  1
  Fe  Fe96  1  0.073592  0.828034  0.539203  1
  Fe  Fe97  1  0.373569  0.447549  0.512704  1
  Fe  Fe98  1  0.125662  0.273914  0.551139  1
  Fe  Fe99  1  0.625781  0.713861  0.564666  1
  Fe  Fe100  1  0.873461  0.885768  0.526390  1
  Fe  Fe101  1  0.699381  0.749824  0.513929  1
  Fe  Fe102  1  0.800557  0.174297  0.504925  1
  Fe  Fe103  1  0.300034  0.159073  0.533985  1
  Fe  Fe104  1  0.199177  0.583855  0.525105  1
  Fe  Fe105  1  0.507069  0.444974  0.552656  1
  Fe  Fe106  1  0.991944  0.040219  0.563785  1
  Fe  Fe107  1  0.492166  0.948441  0.552063  1
  Fe  Fe108  1  0.007292  0.543590  0.563225  1
  Fe  Fe109  1  0.492277  0.716048  0.524681  1
  Fe  Fe110  1  0.007016  0.121132  0.513611  1
  Fe  Fe111  1  0.507264  0.212563  0.525340  1
  Fe  Fe112  1  0.991946  0.618236  0.514432  1
  Fe  Fe113  1  0.799993  0.233767  0.629009  1
  Fe  Fe114  1  0.701079  0.656411  0.619759  1
  Fe  Fe115  1  0.198251  0.644204  0.649901  1
  Fe  Fe116  1  0.299993  0.065703  0.640488  1
  Fe  Fe117  1  0.802174  0.822062  0.652397  1
  Fe  Fe118  1  0.698043  0.991289  0.614386  1
  Fe  Fe119  1  0.198307  0.651315  0.578929  1
  Fe  Fe120  1  0.301812  0.478629  0.616806  1
  Fe  Fe121  1  0.576150  0.817050  0.653801  1
  Fe  Fe122  1  0.925461  0.988760  0.615086  1
  Fe  Fe123  1  0.425496  0.655714  0.577635  1
  Fe  Fe124  1  0.076013  0.484223  0.616063  1
  Fe  Fe125  1  0.373175  0.102334  0.589627  1
  Fe  Fe126  1  0.125839  0.931244  0.628146  1
  Fe  Fe127  1  0.626307  0.371761  0.641215  1
  Fe  Fe128  1  0.874849  0.541797  0.603069  1
  Fe  Fe129  1  0.699216  0.403149  0.590935  1
  Fe  Fe130  1  0.799550  0.829718  0.582037  1
  Fe  Fe131  1  0.300824  0.816979  0.611193  1
  Fe  Fe132  1  0.199095  0.239126  0.602136  1
  Fe  Fe133  1  0.507255  0.098104  0.630027  1
  Fe  Fe134  1  0.992441  0.695408  0.641150  1
  Fe  Fe135  1  0.493494  0.603974  0.628887  1
  Fe  Fe136  1  0.008617  0.197283  0.640101  1
  Fe  Fe137  1  0.491910  0.370106  0.601518  1
  Fe  Fe138  1  0.008694  0.776115  0.590587  1
  Fe  Fe139  1  0.507437  0.867074  0.603141  1
  Fe  Fe140  1  0.992708  0.273106  0.590950  1
  Fe  Fe141  1  0.803702  0.890999  0.705271  1
  Fe  Fe142  1  0.697585  0.314360  0.698033  1
  Fe  Fe143  1  0.213171  0.323428  0.726218  1
  Fe  Fe144  1  0.289163  0.746715  0.719325  1
  Fe  Fe145  1  0.794601  0.491522  0.727914  1
  Fe  Fe146  1  0.697583  0.651372  0.690875  1
  Fe  Fe147  1  0.198045  0.305825  0.655893  1
  Fe  Fe148  1  0.300929  0.139547  0.693300  1
  Fe  Fe149  1  0.552642  0.499326  0.731288  1
  Fe  Fe150  1  0.922227  0.642992  0.691594  1
  Fe  Fe151  1  0.426322  0.314250  0.654355  1
  Fe  Fe152  1  0.073985  0.137453  0.693329  1
  Fe  Fe153  1  0.377659  0.755137  0.667733  1
  Fe  Fe154  1  0.122287  0.583501  0.705338  1
  Fe  Fe155  1  0.627745  0.022084  0.719513  1
  Fe  Fe156  1  0.874276  0.194260  0.680570  1
  Fe  Fe157  1  0.700730  0.065339  0.667892  1
  Fe  Fe158  1  0.802247  0.484298  0.658387  1
  Fe  Fe159  1  0.297036  0.472655  0.687290  1
  Fe  Fe160  1  0.199930  0.893508  0.679442  1
  Fe  Fe161  1  0.509371  0.789784  0.710851  1
  Fe  Fe162  1  0.991143  0.356110  0.717987  1
  Fe  Fe163  1  0.477376  0.287236  0.703063  1
  Fe  Fe164  1  0.017041  0.864031  0.717829  1
  Fe  Fe165  1  0.495887  0.029643  0.678443  1
  Fe  Fe166  1  0.007817  0.431444  0.667215  1
  Fe  Fe167  1  0.508847  0.529516  0.678215  1
  Fe  Fe168  1  0.990345  0.929534  0.668723  1
  C  C169  1  0.924442  0.784843  0.325192  1
  C  C170  1  0.583951  0.921639  0.290402  1
  C  C171  1  0.075852  0.441152  0.289081  1
  C  C172  1  0.422020  0.267574  0.328829  1
  C  C173  1  0.859409  0.427659  0.342045  1
  C  C174  1  0.636322  0.315809  0.271813  1
  C  C175  1  0.140715  0.087777  0.306938  1
  C  C176  1  0.358587  0.628072  0.312008  1
  C  C177  1  0.132521  0.796005  0.273726  1
  C  C178  1  0.356898  0.912154  0.345519  1
  C  C179  1  0.861242  0.145921  0.309121  1
  C  C180  1  0.637994  0.592123  0.304090  1
  C  C181  1  0.923044  0.441665  0.402751  1
  C  C182  1  0.576957  0.615955  0.363344  1
  C  C183  1  0.074676  0.101670  0.367552  1
  C  C184  1  0.423014  0.929171  0.405839  1
  C  C185  1  0.859626  0.082101  0.419425  1
  C  C186  1  0.640344  0.970482  0.348168  1
  C  C187  1  0.138010  0.741715  0.383643  1
  C  C188  1  0.360890  0.289521  0.388875  1
  C  C189  1  0.139212  0.458190  0.350650  1
  C  C190  1  0.361307  0.570423  0.421714  1
  C  C191  1  0.858825  0.799233  0.385975  1
  C  C192  1  0.639875  0.254642  0.380789  1
  C  C193  1  0.923525  0.096593  0.479450  1
  C  C194  1  0.576522  0.269867  0.441136  1
  C  C195  1  0.076685  0.755142  0.443882  1
  C  C196  1  0.422927  0.582847  0.482544  1
  C  C197  1  0.859809  0.736390  0.496189  1
  C  C198  1  0.639571  0.628098  0.424609  1
  C  C199  1  0.140762  0.397536  0.460481  1
  C  C200  1  0.359816  0.943493  0.465923  1
  C  C201  1  0.140192  0.115637  0.427483  1
  C  C202  1  0.359583  0.224210  0.498930  1
  C  C203  1  0.860026  0.456105  0.463229  1
  C  C204  1  0.639893  0.908906  0.457785  1
  C  C205  1  0.922931  0.751630  0.556679  1
  C  C206  1  0.576689  0.923926  0.518017  1
  C  C207  1  0.076091  0.410179  0.521112  1
  C  C208  1  0.423094  0.236906  0.559426  1
  C  C209  1  0.859425  0.391135  0.573079  1
  C  C210  1  0.640033  0.282563  0.501631  1
  C  C211  1  0.139590  0.050668  0.537333  1
  C  C212  1  0.359723  0.597866  0.542777  1
  C  C213  1  0.139807  0.770382  0.504372  1
  C  C214  1  0.360045  0.878674  0.575953  1
  C  C215  1  0.858854  0.109237  0.540081  1
  C  C216  1  0.639801  0.563280  0.534639  1
  C  C217  1  0.924940  0.405102  0.633010  1
  C  C218  1  0.576602  0.577601  0.594723  1
  C  C219  1  0.076573  0.065108  0.597811  1
  C  C220  1  0.422659  0.890818  0.637218  1
  C  C221  1  0.860404  0.048583  0.649912  1
  C  C222  1  0.638309  0.936350  0.578848  1
  C  C223  1  0.140791  0.707540  0.614587  1
  C  C224  1  0.359741  0.252131  0.619773  1
  C  C225  1  0.139990  0.424672  0.581137  1
  C  C226  1  0.359272  0.536291  0.652394  1
  C  C227  1  0.861606  0.765058  0.616919  1
  C  C228  1  0.638726  0.217252  0.611687  1
  C  C229  1  0.923764  0.065621  0.711481  1
  C  C230  1  0.577596  0.239198  0.671732  1
  C  C231  1  0.075174  0.721929  0.675370  1
  C  C232  1  0.415665  0.585134  0.710160  1
  C  C233  1  0.867096  0.710768  0.726835  1
  C  C234  1  0.642718  0.594618  0.655043  1
  C  C235  1  0.138374  0.360852  0.691441  1
  C  C236  1  0.361622  0.914649  0.696472  1
  C  C237  1  0.140208  0.079113  0.658517  1
  C  C238  1  0.363294  0.190964  0.728749  1
  C  C239  1  0.858901  0.418996  0.693624  1
  C  C240  1  0.641029  0.878701  0.688554  1
