# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.61871476
_cell_length_b   7.87050030
_cell_length_c   48.82882736
_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   4465.15690323
_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  0.274687  0.408908  0.328258  1
  Fe  Fe2  1  0.781384  0.780272  0.292116  1
  Fe  Fe3  1  0.051809  0.781817  0.338791  1
  Fe  Fe4  1  0.537779  0.138171  0.298033  1
  Fe  Fe5  1  0.134877  0.084328  0.288298  1
  Fe  Fe6  1  0.623101  0.721418  0.323390  1
  Fe  Fe7  1  0.058816  0.092299  0.336512  1
  Fe  Fe8  1  0.554072  0.454241  0.301442  1
  Fe  Fe9  1  0.064770  0.362900  0.309735  1
  Fe  Fe10  1  0.562951  0.990222  0.346615  1
  Fe  Fe11  1  0.441853  0.592299  0.336512  1
  Fe  Fe12  1  0.946598  0.954241  0.301442  1
  Fe  Fe13  1  0.435900  0.862900  0.309735  1
  Fe  Fe14  1  0.937719  0.490222  0.346615  1
  Fe  Fe15  1  0.365793  0.584328  0.288298  1
  Fe  Fe16  1  0.877569  0.221418  0.323390  1
  Fe  Fe17  1  0.278614  0.156594  0.351415  1
  Fe  Fe18  1  0.782033  0.524801  0.316122  1
  Fe  Fe19  1  0.225983  0.908908  0.328258  1
  Fe  Fe20  1  0.719286  0.280272  0.292116  1
  Fe  Fe21  1  0.222056  0.656594  0.351415  1
  Fe  Fe22  1  0.718637  0.024801  0.316122  1
  Fe  Fe23  1  0.448860  0.281817  0.338791  1
  Fe  Fe24  1  0.962891  0.638171  0.298033  1
  Fe  Fe25  1  0.169494  0.643344  0.304072  1
  Fe  Fe26  1  0.665630  0.279705  0.339349  1
  Fe  Fe27  1  0.331176  0.143344  0.304072  1
  Fe  Fe28  1  0.835039  0.779705  0.339349  1
  Fe  Fe29  1  0.276938  0.672413  0.397860  1
  Fe  Fe30  1  0.776025  0.036601  0.362638  1
  Fe  Fe31  1  0.052767  0.048145  0.409919  1
  Fe  Fe32  1  0.553126  0.413571  0.374270  1
  Fe  Fe33  1  0.116993  0.359403  0.359803  1
  Fe  Fe34  1  0.621994  0.990870  0.395249  1
  Fe  Fe35  1  0.061479  0.358011  0.408389  1
  Fe  Fe36  1  0.561713  0.723289  0.372631  1
  Fe  Fe37  1  0.060375  0.623046  0.382694  1
  Fe  Fe38  1  0.561098  0.260040  0.418190  1
  Fe  Fe39  1  0.439191  0.858011  0.408389  1
  Fe  Fe40  1  0.938957  0.223289  0.372631  1
  Fe  Fe41  1  0.440295  0.123046  0.382694  1
  Fe  Fe42  1  0.939572  0.760040  0.418190  1
  Fe  Fe43  1  0.383677  0.859403  0.359803  1
  Fe  Fe44  1  0.878676  0.490870  0.395249  1
  Fe  Fe45  1  0.277154  0.424655  0.422525  1
  Fe  Fe46  1  0.776573  0.790040  0.386869  1
  Fe  Fe47  1  0.223732  0.172413  0.397860  1
  Fe  Fe48  1  0.724645  0.536601  0.362638  1
  Fe  Fe49  1  0.223516  0.924655  0.422525  1
  Fe  Fe50  1  0.724097  0.290040  0.386869  1
  Fe  Fe51  1  0.447903  0.548145  0.409919  1
  Fe  Fe52  1  0.947544  0.913571  0.374270  1
  Fe  Fe53  1  0.166372  0.915994  0.375138  1
  Fe  Fe54  1  0.666461  0.550551  0.410805  1
  Fe  Fe55  1  0.334297  0.415994  0.375138  1
  Fe  Fe56  1  0.834209  0.050551  0.410805  1
  Fe  Fe57  1  0.276798  0.944313  0.469728  1
  Fe  Fe58  1  0.776569  0.308358  0.433859  1
  Fe  Fe59  1  0.053630  0.319578  0.481818  1
  Fe  Fe60  1  0.553110  0.684218  0.446172  1
  Fe  Fe61  1  0.122480  0.627388  0.431074  1
  Fe  Fe62  1  0.621252  0.262154  0.466634  1
  Fe  Fe63  1  0.060801  0.630454  0.479646  1
  Fe  Fe64  1  0.560814  0.995092  0.443877  1
  Fe  Fe65  1  0.061541  0.896064  0.453797  1
  Fe  Fe66  1  0.560821  0.529877  0.489531  1
  Fe  Fe67  1  0.439869  0.130454  0.479646  1
  Fe  Fe68  1  0.939856  0.495092  0.443877  1
  Fe  Fe69  1  0.439128  0.396064  0.453797  1
  Fe  Fe70  1  0.939849  0.029877  0.489531  1
  Fe  Fe71  1  0.378190  0.127388  0.431074  1
  Fe  Fe72  1  0.879418  0.762154  0.466634  1
  Fe  Fe73  1  0.277038  0.696169  0.494093  1
  Fe  Fe74  1  0.776984  0.060371  0.458173  1
  Fe  Fe75  1  0.223872  0.444313  0.469728  1
  Fe  Fe76  1  0.724101  0.808358  0.433859  1
  Fe  Fe77  1  0.223631  0.196169  0.494093  1
  Fe  Fe78  1  0.723686  0.560371  0.458173  1
  Fe  Fe79  1  0.447040  0.819578  0.481818  1
  Fe  Fe80  1  0.947559  0.184218  0.446172  1
  Fe  Fe81  1  0.166647  0.186547  0.446575  1
  Fe  Fe82  1  0.666559  0.821065  0.482106  1
  Fe  Fe83  1  0.334023  0.686547  0.446575  1
  Fe  Fe84  1  0.834111  0.321065  0.482106  1
  Fe  Fe85  1  0.276791  0.213511  0.540997  1
  Fe  Fe86  1  0.776744  0.578716  0.505209  1
  Fe  Fe87  1  0.053438  0.589093  0.553127  1
  Fe  Fe88  1  0.553146  0.954202  0.517361  1
  Fe  Fe89  1  0.121050  0.897667  0.502481  1
  Fe  Fe90  1  0.621418  0.532583  0.537988  1
  Fe  Fe91  1  0.061060  0.899632  0.551196  1
  Fe  Fe92  1  0.561013  0.264939  0.515212  1
  Fe  Fe93  1  0.060843  0.164982  0.525313  1
  Fe  Fe94  1  0.560882  0.800499  0.560836  1
  Fe  Fe95  1  0.439610  0.399632  0.551196  1
  Fe  Fe96  1  0.939656  0.764939  0.515212  1
  Fe  Fe97  1  0.439827  0.664982  0.525313  1
  Fe  Fe98  1  0.939788  0.300499  0.560836  1
  Fe  Fe99  1  0.379620  0.397667  0.502481  1
  Fe  Fe100  1  0.879251  0.032583  0.537988  1
  Fe  Fe101  1  0.276774  0.965177  0.565433  1
  Fe  Fe102  1  0.777097  0.330699  0.529522  1
  Fe  Fe103  1  0.223879  0.713511  0.540997  1
  Fe  Fe104  1  0.723926  0.078716  0.505209  1
  Fe  Fe105  1  0.223895  0.465177  0.565433  1
  Fe  Fe106  1  0.723573  0.830699  0.529522  1
  Fe  Fe107  1  0.447232  0.089093  0.553127  1
  Fe  Fe108  1  0.947524  0.454202  0.517361  1
  Fe  Fe109  1  0.166816  0.456579  0.517934  1
  Fe  Fe110  1  0.666446  0.091271  0.553594  1
  Fe  Fe111  1  0.333853  0.956579  0.517934  1
  Fe  Fe112  1  0.834224  0.591271  0.553594  1
  Fe  Fe113  1  0.276029  0.483581  0.612231  1
  Fe  Fe114  1  0.776746  0.849266  0.576559  1
  Fe  Fe115  1  0.053074  0.860229  0.624722  1
  Fe  Fe116  1  0.553147  0.224427  0.588653  1
  Fe  Fe117  1  0.121015  0.167454  0.573834  1
  Fe  Fe118  1  0.622721  0.803650  0.609537  1
  Fe  Fe119  1  0.060112  0.169982  0.622483  1
  Fe  Fe120  1  0.561263  0.535237  0.586656  1
  Fe  Fe121  1  0.061226  0.435144  0.596719  1
  Fe  Fe122  1  0.562207  0.074086  0.632210  1
  Fe  Fe123  1  0.440558  0.669982  0.622483  1
  Fe  Fe124  1  0.939407  0.035237  0.586656  1
  Fe  Fe125  1  0.439443  0.935144  0.596719  1
  Fe  Fe126  1  0.938463  0.574086  0.632210  1
  Fe  Fe127  1  0.379655  0.667454  0.573834  1
  Fe  Fe128  1  0.877949  0.303650  0.609537  1
  Fe  Fe129  1  0.277216  0.234909  0.636797  1
  Fe  Fe130  1  0.777328  0.601307  0.600835  1
  Fe  Fe131  1  0.224641  0.983581  0.612231  1
  Fe  Fe132  1  0.723924  0.349266  0.576559  1
  Fe  Fe133  1  0.223453  0.734909  0.636797  1
  Fe  Fe134  1  0.723341  0.101307  0.600835  1
  Fe  Fe135  1  0.447596  0.360229  0.624722  1
  Fe  Fe136  1  0.947523  0.724427  0.588653  1
  Fe  Fe137  1  0.166772  0.727041  0.589323  1
  Fe  Fe138  1  0.665917  0.360903  0.625136  1
  Fe  Fe139  1  0.333898  0.227041  0.589323  1
  Fe  Fe140  1  0.834753  0.860903  0.625136  1
  Fe  Fe141  1  0.275949  0.748569  0.683482  1
  Fe  Fe142  1  0.777730  0.121197  0.648545  1
  Fe  Fe143  1  0.053386  0.126934  0.695873  1
  Fe  Fe144  1  0.554436  0.496727  0.660162  1
  Fe  Fe145  1  0.118865  0.436691  0.644853  1
  Fe  Fe146  1  0.619128  0.070949  0.680702  1
  Fe  Fe147  1  0.063422  0.437386  0.695157  1
  Fe  Fe148  1  0.560801  0.807436  0.657382  1
  Fe  Fe149  1  0.060170  0.699257  0.668154  1
  Fe  Fe150  1  0.554497  0.332049  0.704606  1
  Fe  Fe151  1  0.437247  0.937386  0.695157  1
  Fe  Fe152  1  0.939869  0.307436  0.657382  1
  Fe  Fe153  1  0.440499  0.199257  0.668154  1
  Fe  Fe154  1  0.946173  0.832049  0.704606  1
  Fe  Fe155  1  0.381805  0.936691  0.644853  1
  Fe  Fe156  1  0.881542  0.570949  0.680702  1
  Fe  Fe157  1  0.273899  0.493623  0.708124  1
  Fe  Fe158  1  0.775924  0.871154  0.672525  1
  Fe  Fe159  1  0.224720  0.248569  0.683482  1
  Fe  Fe160  1  0.722939  0.621197  0.648545  1
  Fe  Fe161  1  0.226771  0.993623  0.708124  1
  Fe  Fe162  1  0.724746  0.371154  0.672525  1
  Fe  Fe163  1  0.447284  0.626934  0.695873  1
  Fe  Fe164  1  0.946234  0.996727  0.660162  1
  Fe  Fe165  1  0.167739  0.997816  0.659522  1
  Fe  Fe166  1  0.663102  0.629740  0.699561  1
  Fe  Fe167  1  0.332931  0.497816  0.659522  1
  Fe  Fe168  1  0.837567  0.129740  0.699561  1
  C  C169  1  0.314409  0.709156  0.319844  1
  C  C170  1  0.813342  0.336485  0.354564  1
  C  C171  1  0.409225  0.045867  0.335052  1
  C  C172  1  0.908362  0.407834  0.299033  1
  C  C173  1  0.400259  0.365291  0.303641  1
  C  C174  1  0.905601  0.000595  0.338846  1
  C  C175  1  0.091445  0.545867  0.335052  1
  C  C176  1  0.592308  0.907834  0.299033  1
  C  C177  1  0.100411  0.865291  0.303641  1
  C  C178  1  0.595069  0.500595  0.338846  1
  C  C179  1  0.186261  0.209156  0.319844  1
  C  C180  1  0.687328  0.836485  0.354564  1
  C  C181  1  0.313866  0.972722  0.390457  1
  C  C182  1  0.813785  0.608756  0.426075  1
  C  C183  1  0.407302  0.312400  0.406271  1
  C  C184  1  0.906997  0.677716  0.370761  1
  C  C185  1  0.407434  0.635047  0.374394  1
  C  C186  1  0.907351  0.269641  0.410543  1
  C  C187  1  0.093368  0.812400  0.406271  1
  C  C188  1  0.593673  0.177716  0.370761  1
  C  C189  1  0.093236  0.135047  0.374394  1
  C  C190  1  0.593319  0.769641  0.410543  1
  C  C191  1  0.186804  0.472722  0.390457  1
  C  C192  1  0.686885  0.108756  0.426075  1
  C  C193  1  0.313697  0.244782  0.461998  1
  C  C194  1  0.813757  0.879227  0.497446  1
  C  C195  1  0.407039  0.583818  0.477789  1
  C  C196  1  0.907553  0.948533  0.442032  1
  C  C197  1  0.406997  0.905777  0.446226  1
  C  C198  1  0.907172  0.540210  0.481774  1
  C  C199  1  0.093631  0.083818  0.477789  1
  C  C200  1  0.593116  0.448533  0.442032  1
  C  C201  1  0.093673  0.405777  0.446226  1
  C  C202  1  0.593498  0.040210  0.481774  1
  C  C203  1  0.186972  0.744782  0.461998  1
  C  C204  1  0.686913  0.379227  0.497446  1
  C  C205  1  0.313979  0.514124  0.533354  1
  C  C206  1  0.813811  0.149804  0.568811  1
  C  C207  1  0.406950  0.853438  0.549097  1
  C  C208  1  0.907354  0.218529  0.513302  1
  C  C209  1  0.407226  0.175498  0.517546  1
  C  C210  1  0.907054  0.810583  0.553092  1
  C  C211  1  0.093720  0.353438  0.549097  1
  C  C212  1  0.593316  0.718529  0.513302  1
  C  C213  1  0.093444  0.675498  0.517546  1
  C  C214  1  0.593616  0.310583  0.553092  1
  C  C215  1  0.186690  0.014124  0.533354  1
  C  C216  1  0.686859  0.649804  0.568811  1
  C  C217  1  0.314105  0.783334  0.604775  1
  C  C218  1  0.812880  0.422621  0.640237  1
  C  C219  1  0.407888  0.124533  0.620421  1
  C  C220  1  0.907644  0.488551  0.584754  1
  C  C221  1  0.407480  0.445823  0.589089  1
  C  C222  1  0.906014  0.081306  0.624488  1
  C  C223  1  0.092782  0.624533  0.620421  1
  C  C224  1  0.593026  0.988551  0.584754  1
  C  C225  1  0.093190  0.945823  0.589089  1
  C  C226  1  0.594656  0.581306  0.624488  1
  C  C227  1  0.186565  0.283334  0.604775  1
  C  C228  1  0.687790  0.922621  0.640237  1
  C  C229  1  0.314191  0.048693  0.675894  1
  C  C230  1  0.815737  0.687878  0.711480  1
  C  C231  1  0.405447  0.393028  0.690598  1
  C  C232  1  0.907351  0.760336  0.656586  1
  C  C233  1  0.407970  0.715421  0.660378  1
  C  C234  1  0.909344  0.348274  0.695486  1
  C  C235  1  0.095223  0.893028  0.690598  1
  C  C236  1  0.593319  0.260336  0.656586  1
  C  C237  1  0.092699  0.215421  0.660378  1
  C  C238  1  0.591326  0.848274  0.695486  1
  C  C239  1  0.186479  0.548693  0.675894  1
  C  C240  1  0.684933  0.187878  0.711480  1
