# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49315415
_cell_length_b   14.19170516
_cell_length_c   49.44937157
_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   4556.70664325
_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  0.941434  0.147101  0.340876  1
  Fe  Fe2  1  0.556803  0.312565  0.320438  1
  Fe  Fe3  1  0.434148  0.870356  0.301067  1
  Fe  Fe4  1  0.059536  0.704775  0.322035  1
  Fe  Fe5  1  0.249874  0.278595  0.297766  1
  Fe  Fe6  1  0.249874  0.227908  0.347541  1
  Fe  Fe7  1  0.749874  0.737825  0.344874  1
  Fe  Fe8  1  0.749874  0.775642  0.296803  1
  Fe  Fe9  1  0.249874  0.411307  0.328405  1
  Fe  Fe10  1  0.249874  0.107134  0.314153  1
  Fe  Fe11  1  0.749874  0.606138  0.313017  1
  Fe  Fe12  1  0.749874  0.913489  0.327482  1
  Fe  Fe13  1  0.249874  0.560191  0.345203  1
  Fe  Fe14  1  0.249874  0.808405  0.344964  1
  Fe  Fe15  1  0.749874  0.459572  0.294621  1
  Fe  Fe16  1  0.749874  0.213140  0.294578  1
  Fe  Fe17  1  0.942945  0.312565  0.320438  1
  Fe  Fe18  1  0.558314  0.147101  0.340876  1
  Fe  Fe19  1  0.440212  0.704775  0.322035  1
  Fe  Fe20  1  0.065600  0.870356  0.301067  1
  Fe  Fe21  1  0.078011  0.559882  0.301607  1
  Fe  Fe22  1  0.427459  0.959551  0.339385  1
  Fe  Fe23  1  0.573128  0.457342  0.340234  1
  Fe  Fe24  1  0.924804  0.057610  0.301812  1
  Fe  Fe25  1  0.926620  0.457342  0.340234  1
  Fe  Fe26  1  0.574945  0.057610  0.301812  1
  Fe  Fe27  1  0.421737  0.559882  0.301607  1
  Fe  Fe28  1  0.072290  0.959551  0.339385  1
  Fe  Fe29  1  0.942431  0.926458  0.412167  1
  Fe  Fe30  1  0.558538  0.092779  0.391052  1
  Fe  Fe31  1  0.442810  0.650627  0.372198  1
  Fe  Fe32  1  0.057895  0.483770  0.393484  1
  Fe  Fe33  1  0.249874  0.060378  0.368403  1
  Fe  Fe34  1  0.249874  0.008109  0.418872  1
  Fe  Fe35  1  0.749874  0.516784  0.416232  1
  Fe  Fe36  1  0.749874  0.569812  0.365399  1
  Fe  Fe37  1  0.249874  0.190546  0.400033  1
  Fe  Fe38  1  0.249874  0.883832  0.385317  1
  Fe  Fe39  1  0.749874  0.387829  0.384951  1
  Fe  Fe40  1  0.749874  0.693102  0.399064  1
  Fe  Fe41  1  0.249874  0.339661  0.416710  1
  Fe  Fe42  1  0.249874  0.588334  0.416240  1
  Fe  Fe43  1  0.749874  0.237198  0.368318  1
  Fe  Fe44  1  0.749874  0.989013  0.368094  1
  Fe  Fe45  1  0.941210  0.092779  0.391052  1
  Fe  Fe46  1  0.557317  0.926458  0.412167  1
  Fe  Fe47  1  0.441853  0.483770  0.393484  1
  Fe  Fe48  1  0.056938  0.650627  0.372198  1
  Fe  Fe49  1  0.072602  0.340261  0.373218  1
  Fe  Fe50  1  0.427838  0.738722  0.410877  1
  Fe  Fe51  1  0.571986  0.236641  0.411640  1
  Fe  Fe52  1  0.927596  0.838216  0.373568  1
  Fe  Fe53  1  0.927762  0.236641  0.411640  1
  Fe  Fe54  1  0.572152  0.838216  0.373568  1
  Fe  Fe55  1  0.427146  0.340261  0.373218  1
  Fe  Fe56  1  0.071910  0.738722  0.410877  1
  Fe  Fe57  1  0.942235  0.706037  0.483603  1
  Fe  Fe58  1  0.558650  0.872757  0.462441  1
  Fe  Fe59  1  0.442340  0.430396  0.443916  1
  Fe  Fe60  1  0.057977  0.263495  0.465079  1
  Fe  Fe61  1  0.249874  0.840032  0.439718  1
  Fe  Fe62  1  0.249874  0.788070  0.490249  1
  Fe  Fe63  1  0.749874  0.296193  0.487735  1
  Fe  Fe64  1  0.749874  0.348471  0.437200  1
  Fe  Fe65  1  0.249874  0.970229  0.471285  1
  Fe  Fe66  1  0.249874  0.663909  0.456900  1
  Fe  Fe67  1  0.749874  0.165803  0.456153  1
  Fe  Fe68  1  0.749874  0.472549  0.470592  1
  Fe  Fe69  1  0.249874  0.119471  0.487949  1
  Fe  Fe70  1  0.249874  0.367445  0.487888  1
  Fe  Fe71  1  0.749874  0.016858  0.439437  1
  Fe  Fe72  1  0.749874  0.768643  0.439537  1
  Fe  Fe73  1  0.941098  0.872757  0.462441  1
  Fe  Fe74  1  0.557514  0.706037  0.483603  1
  Fe  Fe75  1  0.441772  0.263495  0.465079  1
  Fe  Fe76  1  0.057409  0.430396  0.443916  1
  Fe  Fe77  1  0.071772  0.120049  0.444540  1
  Fe  Fe78  1  0.427417  0.518487  0.482233  1
  Fe  Fe79  1  0.572122  0.016028  0.482940  1
  Fe  Fe80  1  0.927404  0.618015  0.444959  1
  Fe  Fe81  1  0.927627  0.016028  0.482940  1
  Fe  Fe82  1  0.572344  0.618015  0.444959  1
  Fe  Fe83  1  0.427976  0.120049  0.444540  1
  Fe  Fe84  1  0.072332  0.518487  0.482233  1
  Fe  Fe85  1  0.942340  0.485450  0.554949  1
  Fe  Fe86  1  0.557977  0.652352  0.533785  1
  Fe  Fe87  1  0.442235  0.209809  0.515261  1
  Fe  Fe88  1  0.058650  0.043090  0.536423  1
  Fe  Fe89  1  0.249874  0.619653  0.511129  1
  Fe  Fe90  1  0.249874  0.567375  0.561665  1
  Fe  Fe91  1  0.749874  0.075814  0.559147  1
  Fe  Fe92  1  0.749874  0.127776  0.508616  1
  Fe  Fe93  1  0.249874  0.750043  0.542712  1
  Fe  Fe94  1  0.249874  0.443297  0.528272  1
  Fe  Fe95  1  0.749874  0.945617  0.527580  1
  Fe  Fe96  1  0.749874  0.251937  0.541965  1
  Fe  Fe97  1  0.249874  0.898988  0.559428  1
  Fe  Fe98  1  0.249874  0.147203  0.559327  1
  Fe  Fe99  1  0.749874  0.796375  0.510915  1
  Fe  Fe100  1  0.749874  0.548401  0.510977  1
  Fe  Fe101  1  0.941772  0.652352  0.533785  1
  Fe  Fe102  1  0.557409  0.485450  0.554949  1
  Fe  Fe103  1  0.441098  0.043090  0.536423  1
  Fe  Fe104  1  0.057514  0.209809  0.515261  1
  Fe  Fe105  1  0.072122  0.899819  0.515925  1
  Fe  Fe106  1  0.427404  0.297831  0.553906  1
  Fe  Fe107  1  0.571772  0.795797  0.554325  1
  Fe  Fe108  1  0.927417  0.397359  0.516632  1
  Fe  Fe109  1  0.927976  0.795797  0.554325  1
  Fe  Fe110  1  0.572332  0.397359  0.516632  1
  Fe  Fe111  1  0.427627  0.899819  0.515925  1
  Fe  Fe112  1  0.072344  0.297831  0.553906  1
  Fe  Fe113  1  0.942810  0.265219  0.626666  1
  Fe  Fe114  1  0.557895  0.432077  0.605381  1
  Fe  Fe115  1  0.442431  0.989388  0.586698  1
  Fe  Fe116  1  0.058538  0.823067  0.607813  1
  Fe  Fe117  1  0.249874  0.399063  0.582633  1
  Fe  Fe118  1  0.249874  0.346034  0.633465  1
  Fe  Fe119  1  0.749874  0.855468  0.630462  1
  Fe  Fe120  1  0.749874  0.907737  0.579992  1
  Fe  Fe121  1  0.249874  0.528017  0.613913  1
  Fe  Fe122  1  0.249874  0.222744  0.599800  1
  Fe  Fe123  1  0.749874  0.725301  0.598832  1
  Fe  Fe124  1  0.749874  0.032015  0.613548  1
  Fe  Fe125  1  0.249874  0.678648  0.630547  1
  Fe  Fe126  1  0.249874  0.926833  0.630771  1
  Fe  Fe127  1  0.749874  0.576186  0.582155  1
  Fe  Fe128  1  0.749874  0.327512  0.582624  1
  Fe  Fe129  1  0.941853  0.432077  0.605381  1
  Fe  Fe130  1  0.556938  0.265219  0.626666  1
  Fe  Fe131  1  0.441210  0.823067  0.607813  1
  Fe  Fe132  1  0.057317  0.989388  0.586698  1
  Fe  Fe133  1  0.071986  0.679205  0.587225  1
  Fe  Fe134  1  0.427596  0.077630  0.625296  1
  Fe  Fe135  1  0.572602  0.575585  0.625647  1
  Fe  Fe136  1  0.927838  0.177124  0.587987  1
  Fe  Fe137  1  0.927146  0.575585  0.625647  1
  Fe  Fe138  1  0.571910  0.177124  0.587987  1
  Fe  Fe139  1  0.427762  0.679205  0.587225  1
  Fe  Fe140  1  0.072152  0.077630  0.625296  1
  Fe  Fe141  1  0.934148  0.045490  0.697798  1
  Fe  Fe142  1  0.559536  0.211071  0.676829  1
  Fe  Fe143  1  0.441434  0.768745  0.657988  1
  Fe  Fe144  1  0.056803  0.603281  0.678427  1
  Fe  Fe145  1  0.249874  0.178021  0.653990  1
  Fe  Fe146  1  0.249874  0.140204  0.702061  1
  Fe  Fe147  1  0.749874  0.637251  0.701098  1
  Fe  Fe148  1  0.749874  0.687938  0.651324  1
  Fe  Fe149  1  0.249874  0.309708  0.685847  1
  Fe  Fe150  1  0.249874  0.002357  0.671383  1
  Fe  Fe151  1  0.749874  0.504539  0.670459  1
  Fe  Fe152  1  0.749874  0.808712  0.684712  1
  Fe  Fe153  1  0.249874  0.456275  0.704244  1
  Fe  Fe154  1  0.249874  0.702706  0.704286  1
  Fe  Fe155  1  0.749874  0.355656  0.653662  1
  Fe  Fe156  1  0.749874  0.107441  0.653901  1
  Fe  Fe157  1  0.940212  0.211071  0.676829  1
  Fe  Fe158  1  0.565600  0.045490  0.697798  1
  Fe  Fe159  1  0.442945  0.603281  0.678427  1
  Fe  Fe160  1  0.058314  0.768745  0.657988  1
  Fe  Fe161  1  0.073128  0.458504  0.658631  1
  Fe  Fe162  1  0.424804  0.858236  0.697052  1
  Fe  Fe163  1  0.578011  0.355964  0.697258  1
  Fe  Fe164  1  0.927459  0.956295  0.659480  1
  Fe  Fe165  1  0.921737  0.355964  0.697258  1
  Fe  Fe166  1  0.572290  0.956295  0.659480  1
  Fe  Fe167  1  0.426620  0.458504  0.658631  1
  Fe  Fe168  1  0.074945  0.858236  0.697052  1
  C  C169  1  0.749874  0.047527  0.333061  1
  C  C170  1  0.749874  0.351772  0.347628  1
  C  C171  1  0.249874  0.973175  0.308522  1
  C  C172  1  0.249874  0.667252  0.294273  1
  C  C173  1  0.029237  0.192996  0.306166  1
  C  C174  1  0.469620  0.426321  0.302743  1
  C  C175  1  0.534379  0.824687  0.335232  1
  C  C176  1  0.965036  0.591510  0.339369  1
  C  C177  1  0.965370  0.824687  0.335232  1
  C  C178  1  0.534712  0.591510  0.339369  1
  C  C179  1  0.470511  0.192996  0.306166  1
  C  C180  1  0.030128  0.426321  0.302743  1
  C  C181  1  0.749874  0.827150  0.404507  1
  C  C182  1  0.749874  0.131088  0.418592  1
  C  C183  1  0.249874  0.749712  0.379966  1
  C  C184  1  0.249874  0.445808  0.365980  1
  C  C185  1  0.034744  0.972970  0.377728  1
  C  C186  1  0.464457  0.205984  0.373645  1
  C  C187  1  0.534876  0.603899  0.406632  1
  C  C188  1  0.964809  0.370929  0.411192  1
  C  C189  1  0.964872  0.603899  0.406632  1
  C  C190  1  0.534939  0.370929  0.411192  1
  C  C191  1  0.465004  0.972970  0.377728  1
  C  C192  1  0.035291  0.205984  0.373645  1
  C  C193  1  0.749874  0.606668  0.475910  1
  C  C194  1  0.749874  0.910556  0.490050  1
  C  C195  1  0.249874  0.529977  0.451292  1
  C  C196  1  0.249874  0.225499  0.437573  1
  C  C197  1  0.034696  0.752857  0.449202  1
  C  C198  1  0.464582  0.985748  0.444920  1
  C  C199  1  0.534830  0.383508  0.478303  1
  C  C200  1  0.964365  0.150331  0.482553  1
  C  C201  1  0.964918  0.383508  0.478303  1
  C  C202  1  0.535383  0.150331  0.482553  1
  C  C203  1  0.465053  0.752857  0.449202  1
  C  C204  1  0.035167  0.985748  0.444920  1
  C  C205  1  0.749874  0.385870  0.547573  1
  C  C206  1  0.749874  0.690348  0.561291  1
  C  C207  1  0.249874  0.309178  0.522955  1
  C  C208  1  0.249874  0.005290  0.508815  1
  C  C209  1  0.034830  0.532338  0.520562  1
  C  C210  1  0.464365  0.765515  0.516312  1
  C  C211  1  0.534696  0.162989  0.549662  1
  C  C212  1  0.964582  0.930098  0.553944  1
  C  C213  1  0.965053  0.162989  0.549662  1
  C  C214  1  0.535167  0.930098  0.553944  1
  C  C215  1  0.464918  0.532338  0.520562  1
  C  C216  1  0.035383  0.765515  0.516312  1
  C  C217  1  0.749874  0.166134  0.618899  1
  C  C218  1  0.749874  0.470038  0.632885  1
  C  C219  1  0.249874  0.088696  0.594358  1
  C  C220  1  0.249874  0.784758  0.580273  1
  C  C221  1  0.034876  0.311947  0.592232  1
  C  C222  1  0.464809  0.544917  0.587673  1
  C  C223  1  0.534744  0.942876  0.621137  1
  C  C224  1  0.964457  0.709863  0.625220  1
  C  C225  1  0.965004  0.942876  0.621137  1
  C  C226  1  0.535291  0.709863  0.625220  1
  C  C227  1  0.464872  0.311947  0.592232  1
  C  C228  1  0.034939  0.544917  0.587673  1
  C  C229  1  0.749874  0.942671  0.690343  1
  C  C230  1  0.749874  0.248594  0.704592  1
  C  C231  1  0.249874  0.868319  0.665804  1
  C  C232  1  0.249874  0.564074  0.651237  1
  C  C233  1  0.034379  0.091159  0.663633  1
  C  C234  1  0.465036  0.324337  0.659495  1
  C  C235  1  0.529237  0.722850  0.692698  1
  C  C236  1  0.969620  0.489525  0.696122  1
  C  C237  1  0.970511  0.722850  0.692698  1
  C  C238  1  0.530128  0.489525  0.696122  1
  C  C239  1  0.465370  0.091159  0.663633  1
  C  C240  1  0.034712  0.324337  0.659495  1
