# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71758605
_cell_length_b   13.92512296
_cell_length_c   47.28516353
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   103.90987740
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7C3
_chemical_formula_sum   'Fe168 C72'
_cell_volume   4293.49578176
_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  0.815253  0.519257  0.341956  1
  Fe  Fe2  1  0.950512  0.789983  0.378976  1
  Fe  Fe3  1  0.683444  0.247156  0.305058  1
  Fe  Fe4  1  0.372288  0.635200  0.372292  1
  Fe  Fe5  1  0.100324  0.092260  0.298605  1
  Fe  Fe6  1  0.236987  0.363393  0.335700  1
  Fe  Fe7  1  0.791378  0.772857  0.331747  1
  Fe  Fe8  1  0.929111  0.044556  0.369439  1
  Fe  Fe9  1  0.651921  0.500762  0.295315  1
  Fe  Fe10  1  0.757375  0.681454  0.286125  1
  Fe  Fe11  1  0.880898  0.954644  0.324357  1
  Fe  Fe12  1  0.019698  0.225698  0.361153  1
  Fe  Fe13  1  0.532486  0.615431  0.326239  1
  Fe  Fe14  1  0.667803  0.886135  0.364213  1
  Fe  Fe15  1  0.396444  0.345165  0.289059  1
  Fe  Fe16  1  0.646944  0.844755  0.290094  1
  Fe  Fe17  1  0.781021  0.112863  0.330533  1
  Fe  Fe18  1  0.916710  0.384066  0.366558  1
  Fe  Fe19  1  0.430889  0.772826  0.331719  1
  Fe  Fe20  1  0.564732  0.044405  0.369425  1
  Fe  Fe21  1  0.298845  0.501065  0.295255  1
  Fe  Fe22  1  0.373454  0.681478  0.286165  1
  Fe  Fe23  1  0.523311  0.954559  0.324352  1
  Fe  Fe24  1  0.655332  0.225557  0.361120  1
  Fe  Fe25  1  0.016834  0.583876  0.303311  1
  Fe  Fe26  1  0.152073  0.854760  0.341070  1
  Fe  Fe27  1  0.287354  0.125257  0.378693  1
  Fe  Fe28  1  0.105577  0.761595  0.299227  1
  Fe  Fe29  1  0.238795  0.028292  0.336039  1
  Fe  Fe30  1  0.375559  0.301657  0.373847  1
  Fe  Fe31  1  0.712296  0.635109  0.372286  1
  Fe  Fe32  1  0.440852  0.092027  0.298616  1
  Fe  Fe33  1  0.575406  0.363205  0.335697  1
  Fe  Fe34  1  0.153005  0.519156  0.341896  1
  Fe  Fe35  1  0.288761  0.789961  0.378949  1
  Fe  Fe36  1  0.013212  0.247460  0.305023  1
  Fe  Fe37  1  0.463995  0.478906  0.366899  1
  Fe  Fe38  1  0.189686  0.930660  0.289593  1
  Fe  Fe39  1  0.328757  0.208534  0.331407  1
  Fe  Fe40  1  0.062216  0.675306  0.347582  1
  Fe  Fe41  1  0.197975  0.946530  0.384888  1
  Fe  Fe42  1  0.925558  0.404316  0.311364  1
  Fe  Fe43  1  0.222119  0.335022  0.453203  1
  Fe  Fe44  1  0.358291  0.606523  0.490179  1
  Fe  Fe45  1  0.085808  0.062658  0.416270  1
  Fe  Fe46  1  0.780322  0.451387  0.483559  1
  Fe  Fe47  1  0.507958  0.907061  0.409476  1
  Fe  Fe48  1  0.644281  0.179075  0.446574  1
  Fe  Fe49  1  0.199833  0.589165  0.443234  1
  Fe  Fe50  1  0.334770  0.860386  0.480406  1
  Fe  Fe51  1  0.064289  0.316984  0.406358  1
  Fe  Fe52  1  0.152421  0.497622  0.398172  1
  Fe  Fe53  1  0.289500  0.768439  0.435029  1
  Fe  Fe54  1  0.426792  0.040747  0.471997  1
  Fe  Fe55  1  0.940055  0.430322  0.438241  1
  Fe  Fe56  1  0.076122  0.702520  0.475416  1
  Fe  Fe57  1  0.803938  0.158323  0.401102  1
  Fe  Fe58  1  0.052111  0.654782  0.403263  1
  Fe  Fe59  1  0.187980  0.926598  0.440001  1
  Fe  Fe60  1  0.324208  0.199047  0.477198  1
  Fe  Fe61  1  0.838824  0.589026  0.443207  1
  Fe  Fe62  1  0.975056  0.860266  0.480381  1
  Fe  Fe63  1  0.702159  0.316828  0.406324  1
  Fe  Fe64  1  0.794692  0.497505  0.398120  1
  Fe  Fe65  1  0.928441  0.768352  0.434998  1
  Fe  Fe66  1  0.063484  0.040664  0.471978  1
  Fe  Fe67  1  0.423736  0.397850  0.415543  1
  Fe  Fe68  1  0.559806  0.669982  0.452339  1
  Fe  Fe69  1  0.695144  0.940725  0.489376  1
  Fe  Fe70  1  0.511094  0.572551  0.410103  1
  Fe  Fe71  1  0.646956  0.844273  0.447117  1
  Fe  Fe72  1  0.783225  0.116819  0.484386  1
  Fe  Fe73  1  0.120241  0.451177  0.483572  1
  Fe  Fe74  1  0.848298  0.906882  0.409487  1
  Fe  Fe75  1  0.983917  0.178865  0.446586  1
  Fe  Fe76  1  0.562464  0.335080  0.453195  1
  Fe  Fe77  1  0.697797  0.606565  0.490175  1
  Fe  Fe78  1  0.426288  0.062677  0.416260  1
  Fe  Fe79  1  0.871109  0.293195  0.477416  1
  Fe  Fe80  1  0.599162  0.749198  0.402906  1
  Fe  Fe81  1  0.734751  0.020487  0.440415  1
  Fe  Fe82  1  0.470480  0.491090  0.458844  1
  Fe  Fe83  1  0.606052  0.762389  0.495912  1
  Fe  Fe84  1  0.334202  0.218867  0.422013  1
  Fe  Fe85  1  0.629933  0.150535  0.564151  1
  Fe  Fe86  1  0.767976  0.424015  0.601690  1
  Fe  Fe87  1  0.494190  0.878258  0.527233  1
  Fe  Fe88  1  0.188109  0.269341  0.594702  1
  Fe  Fe89  1  0.915634  0.723739  0.520739  1
  Fe  Fe90  1  0.052519  0.994056  0.557246  1
  Fe  Fe91  1  0.608961  0.404820  0.554572  1
  Fe  Fe92  1  0.741738  0.676686  0.591739  1
  Fe  Fe93  1  0.472398  0.132177  0.517388  1
  Fe  Fe94  1  0.561398  0.312942  0.509090  1
  Fe  Fe95  1  0.697911  0.584723  0.546167  1
  Fe  Fe96  1  0.832422  0.856316  0.583296  1
  Fe  Fe97  1  0.347808  0.245920  0.549709  1
  Fe  Fe98  1  0.484965  0.520253  0.586163  1
  Fe  Fe99  1  0.212211  0.974783  0.511959  1
  Fe  Fe100  1  0.460024  0.470635  0.514355  1
  Fe  Fe101  1  0.595904  0.742426  0.551276  1
  Fe  Fe102  1  0.732254  0.015228  0.588093  1
  Fe  Fe103  1  0.245295  0.404687  0.554549  1
  Fe  Fe104  1  0.384379  0.676564  0.591712  1
  Fe  Fe105  1  0.109202  0.132048  0.517361  1
  Fe  Fe106  1  0.201092  0.312854  0.509067  1
  Fe  Fe107  1  0.336363  0.584639  0.546147  1
  Fe  Fe108  1  0.473359  0.856243  0.583271  1
  Fe  Fe109  1  0.831865  0.214134  0.526457  1
  Fe  Fe110  1  0.967818  0.486029  0.563549  1
  Fe  Fe111  1  0.102886  0.756193  0.600780  1
  Fe  Fe112  1  0.919113  0.388555  0.521289  1
  Fe  Fe113  1  0.055020  0.660413  0.558194  1
  Fe  Fe114  1  0.190608  0.931637  0.595074  1
  Fe  Fe115  1  0.530376  0.269125  0.594710  1
  Fe  Fe116  1  0.257278  0.723539  0.520746  1
  Fe  Fe117  1  0.390713  0.993870  0.557257  1
  Fe  Fe118  1  0.970066  0.150551  0.564137  1
  Fe  Fe119  1  0.105583  0.424052  0.601689  1
  Fe  Fe120  1  0.833557  0.878283  0.527228  1
  Fe  Fe121  1  0.278972  0.109019  0.588415  1
  Fe  Fe122  1  0.007077  0.565076  0.514373  1
  Fe  Fe123  1  0.142684  0.836330  0.551697  1
  Fe  Fe124  1  0.878363  0.307058  0.569792  1
  Fe  Fe125  1  0.013235  0.576826  0.607447  1
  Fe  Fe126  1  0.741940  0.034281  0.532912  1
  Fe  Fe127  1  0.038299  0.965204  0.674366  1
  Fe  Fe128  1  0.168557  0.234079  0.712513  1
  Fe  Fe129  1  0.902511  0.694903  0.638837  1
  Fe  Fe130  1  0.597102  0.077348  0.704934  1
  Fe  Fe131  1  0.324262  0.537834  0.631596  1
  Fe  Fe132  1  0.463602  0.809631  0.668757  1
  Fe  Fe133  1  0.017784  0.219820  0.665306  1
  Fe  Fe134  1  0.157433  0.491732  0.702992  1
  Fe  Fe135  1  0.878391  0.948179  0.628055  1
  Fe  Fe136  1  0.974220  0.129610  0.619517  1
  Fe  Fe137  1  0.101068  0.398826  0.658358  1
  Fe  Fe138  1  0.244801  0.673443  0.693413  1
  Fe  Fe139  1  0.755941  0.062220  0.658813  1
  Fe  Fe140  1  0.889372  0.329043  0.700373  1
  Fe  Fe141  1  0.619875  0.790091  0.623291  1
  Fe  Fe142  1  0.867918  0.286423  0.625280  1
  Fe  Fe143  1  0.004703  0.560006  0.662581  1
  Fe  Fe144  1  0.140593  0.831687  0.700144  1
  Fe  Fe145  1  0.651156  0.219629  0.665281  1
  Fe  Fe146  1  0.783648  0.491579  0.702972  1
  Fe  Fe147  1  0.519307  0.948042  0.628016  1
  Fe  Fe148  1  0.604942  0.129535  0.619493  1
  Fe  Fe149  1  0.747312  0.398717  0.658339  1
  Fe  Fe150  1  0.878224  0.673346  0.693385  1
  Fe  Fe151  1  0.239101  0.028826  0.636810  1
  Fe  Fe152  1  0.377822  0.306106  0.674445  1
  Fe  Fe153  1  0.507249  0.565067  0.712088  1
  Fe  Fe154  1  0.328174  0.206684  0.632589  1
  Fe  Fe155  1  0.461919  0.474204  0.669885  1
  Fe  Fe156  1  0.600428  0.751159  0.713742  1
  Fe  Fe157  1  0.929462  0.077250  0.704964  1
  Fe  Fe158  1  0.662776  0.537653  0.631604  1
  Fe  Fe159  1  0.795233  0.809453  0.668764  1
  Fe  Fe160  1  0.376227  0.965146  0.674344  1
  Fe  Fe161  1  0.514877  0.234178  0.712563  1
  Fe  Fe162  1  0.241881  0.694920  0.638823  1
  Fe  Fe163  1  0.687834  0.926456  0.699323  1
  Fe  Fe164  1  0.415794  0.382538  0.625693  1
  Fe  Fe165  1  0.550739  0.652377  0.663121  1
  Fe  Fe166  1  0.288541  0.127354  0.679846  1
  Fe  Fe167  1  0.420268  0.390865  0.718709  1
  Fe  Fe168  1  0.151221  0.852820  0.643768  1
  C  C169  1  0.641032  0.392422  0.374831  1
  C  C170  1  0.373230  0.850434  0.300478  1
  C  C171  1  0.503264  0.119791  0.337901  1
  C  C172  1  0.265821  0.642982  0.323237  1
  C  C173  1  0.402243  0.914338  0.360632  1
  C  C174  1  0.129124  0.372127  0.287006  1
  C  C175  1  0.006028  0.562506  0.372341  1
  C  C176  1  0.735871  0.022442  0.299192  1
  C  C177  1  0.870040  0.290865  0.335877  1
  C  C178  1  0.461210  0.473189  0.326290  1
  C  C179  1  0.596706  0.744108  0.362274  1
  C  C180  1  0.326210  0.203115  0.290812  1
  C  C181  1  0.200716  0.392493  0.374849  1
  C  C182  1  0.926276  0.850339  0.300479  1
  C  C183  1  0.065711  0.119875  0.337903  1
  C  C184  1  0.826590  0.642982  0.323201  1
  C  C185  1  0.961491  0.914401  0.360655  1
  C  C186  1  0.690518  0.371461  0.286906  1
  C  C187  1  0.048877  0.207396  0.485767  1
  C  C188  1  0.776427  0.663392  0.411515  1
  C  C189  1  0.912707  0.934723  0.448714  1
  C  C190  1  0.675048  0.459064  0.434607  1
  C  C191  1  0.810586  0.730594  0.471625  1
  C  C192  1  0.538533  0.186815  0.397739  1
  C  C193  1  0.413726  0.378036  0.483506  1
  C  C194  1  0.141234  0.833039  0.409384  1
  C  C195  1  0.277457  0.105545  0.446573  1
  C  C196  1  0.868842  0.288226  0.436787  1
  C  C197  1  0.004982  0.560450  0.473739  1
  C  C198  1  0.732819  0.016205  0.399778  1
  C  C199  1  0.607847  0.207389  0.485774  1
  C  C200  1  0.336370  0.663419  0.411526  1
  C  C201  1  0.471338  0.934711  0.448718  1
  C  C202  1  0.233745  0.459133  0.434653  1
  C  C203  1  0.369666  0.730653  0.471655  1
  C  C204  1  0.097762  0.186877  0.397768  1
  C  C205  1  0.455953  0.022525  0.596422  1
  C  C206  1  0.184620  0.479225  0.522793  1
  C  C207  1  0.320826  0.750701  0.560033  1
  C  C208  1  0.083071  0.274663  0.545650  1
  C  C209  1  0.218307  0.547388  0.582789  1
  C  C210  1  0.945802  0.002167  0.508564  1
  C  C211  1  0.821668  0.193901  0.594416  1
  C  C212  1  0.549349  0.649294  0.520560  1
  C  C213  1  0.685312  0.921259  0.557589  1
  C  C214  1  0.276649  0.103861  0.547786  1
  C  C215  1  0.413806  0.378132  0.585063  1
  C  C216  1  0.141045  0.832633  0.511058  1
  C  C217  1  0.015812  0.022504  0.596425  1
  C  C218  1  0.743980  0.479222  0.522798  1
  C  C219  1  0.879216  0.750701  0.560042  1
  C  C220  1  0.641218  0.274730  0.545678  1
  C  C221  1  0.778688  0.547445  0.582813  1
  C  C222  1  0.505933  0.002227  0.508588  1
  C  C223  1  0.864058  0.840050  0.707733  1
  C  C224  1  0.594151  0.296962  0.633953  1
  C  C225  1  0.727093  0.565363  0.670833  1
  C  C226  1  0.489447  0.089759  0.656121  1
  C  C227  1  0.627643  0.359707  0.694804  1
  C  C228  1  0.354080  0.818073  0.619793  1
  C  C229  1  0.231428  0.013400  0.704135  1
  C  C230  1  0.956981  0.464586  0.632433  1
  C  C231  1  0.095184  0.740918  0.668832  1
  C  C232  1  0.684751  0.920065  0.658709  1
  C  C233  1  0.818603  0.187957  0.695186  1
  C  C234  1  0.548694  0.647944  0.622474  1
  C  C235  1  0.425466  0.840090  0.707743  1
  C  C236  1  0.152171  0.296956  0.633963  1
  C  C237  1  0.287650  0.565382  0.670839  1
  C  C238  1  0.049918  0.089914  0.656162  1
  C  C239  1  0.181694  0.359808  0.694830  1
  C  C240  1  0.913581  0.818132  0.619820  1
