# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.02040686
_cell_length_b   11.62618340
_cell_length_c   46.70248013
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.19950420
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7C3
_chemical_formula_sum   'Fe168 C72'
_cell_volume   4229.13817737
_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  0.708477  0.739716  0.309576  1
  Fe  Fe2  1  0.259018  0.812495  0.327101  1
  Fe  Fe3  1  0.105745  0.301627  0.335217  1
  Fe  Fe4  1  0.720201  0.199618  0.336581  1
  Fe  Fe5  1  0.110760  0.770777  0.287296  1
  Fe  Fe6  1  0.928809  0.808748  0.332414  1
  Fe  Fe7  1  0.438197  0.312184  0.329515  1
  Fe  Fe8  1  0.616866  0.273686  0.284557  1
  Fe  Fe9  1  0.042632  0.976657  0.301016  1
  Fe  Fe10  1  0.997107  0.609880  0.316670  1
  Fe  Fe11  1  0.502605  0.107745  0.312702  1
  Fe  Fe12  1  0.550118  0.478650  0.301468  1
  Fe  Fe13  1  0.036199  0.172870  0.303692  1
  Fe  Fe14  1  0.114173  0.448957  0.285609  1
  Fe  Fe15  1  0.513974  0.911613  0.310591  1
  Fe  Fe16  1  0.441044  0.636122  0.329649  1
  Fe  Fe17  1  0.812659  0.876255  0.276758  1
  Fe  Fe18  1  0.434948  0.782213  0.278922  1
  Fe  Fe19  1  0.290625  0.270060  0.289328  1
  Fe  Fe20  1  0.838527  0.346588  0.305711  1
  Fe  Fe21  1  0.754365  0.999576  0.330457  1
  Fe  Fe22  1  0.299522  0.584532  0.283425  1
  Fe  Fe23  1  0.245344  0.011629  0.333496  1
  Fe  Fe24  1  0.799598  0.569926  0.281762  1
  Fe  Fe25  1  0.786958  0.086776  0.283967  1
  Fe  Fe26  1  0.249331  0.496840  0.332508  1
  Fe  Fe27  1  0.297224  0.069031  0.281331  1
  Fe  Fe28  1  0.747093  0.514969  0.332443  1
  Fe  Fe29  1  0.404777  0.625701  0.386323  1
  Fe  Fe30  1  0.953668  0.702459  0.402764  1
  Fe  Fe31  1  0.800627  0.187990  0.412435  1
  Fe  Fe32  1  0.411526  0.085292  0.413345  1
  Fe  Fe33  1  0.806718  0.660027  0.362702  1
  Fe  Fe34  1  0.621725  0.694561  0.409257  1
  Fe  Fe35  1  0.133169  0.198148  0.406202  1
  Fe  Fe36  1  0.318321  0.163835  0.359425  1
  Fe  Fe37  1  0.739345  0.862106  0.379388  1
  Fe  Fe38  1  0.694833  0.493699  0.390893  1
  Fe  Fe39  1  0.198422  0.996127  0.389879  1
  Fe  Fe40  1  0.242697  0.363430  0.378294  1
  Fe  Fe41  1  0.729255  0.059370  0.381742  1
  Fe  Fe42  1  0.806628  0.335854  0.362354  1
  Fe  Fe43  1  0.208283  0.799327  0.387466  1
  Fe  Fe44  1  0.130603  0.521656  0.406788  1
  Fe  Fe45  1  0.528089  0.772511  0.355495  1
  Fe  Fe46  1  0.138036  0.670487  0.357484  1
  Fe  Fe47  1  0.982936  0.155141  0.365550  1
  Fe  Fe48  1  0.533814  0.231715  0.382563  1
  Fe  Fe49  1  0.446911  0.886144  0.408626  1
  Fe  Fe50  1  0.994414  0.472364  0.359935  1
  Fe  Fe51  1  0.938985  0.899146  0.410312  1
  Fe  Fe52  1  0.496607  0.458866  0.359560  1
  Fe  Fe53  1  0.493096  0.972298  0.360736  1
  Fe  Fe54  1  0.944354  0.384091  0.408887  1
  Fe  Fe55  1  0.999771  0.960282  0.358230  1
  Fe  Fe56  1  0.441748  0.398905  0.409616  1
  Fe  Fe57  1  0.098334  0.511502  0.463154  1
  Fe  Fe58  1  0.648135  0.587871  0.479862  1
  Fe  Fe59  1  0.494580  0.073981  0.489344  1
  Fe  Fe60  1  0.105552  0.971358  0.490457  1
  Fe  Fe61  1  0.500222  0.545020  0.439710  1
  Fe  Fe62  1  0.315466  0.580104  0.486043  1
  Fe  Fe63  1  0.826349  0.084505  0.483262  1
  Fe  Fe64  1  0.011079  0.050071  0.436490  1
  Fe  Fe65  1  0.434371  0.748158  0.456236  1
  Fe  Fe66  1  0.388939  0.380019  0.467611  1
  Fe  Fe67  1  0.892512  0.881026  0.466732  1
  Fe  Fe68  1  0.938055  0.249556  0.455264  1
  Fe  Fe69  1  0.424266  0.944967  0.458790  1
  Fe  Fe70  1  0.501418  0.221473  0.439231  1
  Fe  Fe71  1  0.902894  0.684535  0.464162  1
  Fe  Fe72  1  0.826083  0.408162  0.483452  1
  Fe  Fe73  1  0.220550  0.658464  0.432486  1
  Fe  Fe74  1  0.831684  0.555677  0.433491  1
  Fe  Fe75  1  0.679413  0.041430  0.443163  1
  Fe  Fe76  1  0.227665  0.118115  0.459749  1
  Fe  Fe77  1  0.140273  0.771804  0.485241  1
  Fe  Fe78  1  0.688686  0.358790  0.436815  1
  Fe  Fe79  1  0.633106  0.784072  0.487207  1
  Fe  Fe80  1  0.190967  0.344134  0.436352  1
  Fe  Fe81  1  0.185526  0.857829  0.437613  1
  Fe  Fe82  1  0.637755  0.270958  0.486076  1
  Fe  Fe83  1  0.693222  0.845576  0.435837  1
  Fe  Fe84  1  0.136241  0.285413  0.486377  1
  Fe  Fe85  1  0.792687  0.397150  0.540085  1
  Fe  Fe86  1  0.340939  0.473835  0.556672  1
  Fe  Fe87  1  0.188668  0.959588  0.566344  1
  Fe  Fe88  1  0.799802  0.856801  0.567349  1
  Fe  Fe89  1  0.194003  0.430760  0.516572  1
  Fe  Fe90  1  0.009273  0.465194  0.563345  1
  Fe  Fe91  1  0.520129  0.970245  0.560125  1
  Fe  Fe92  1  0.704886  0.935161  0.513791  1
  Fe  Fe93  1  0.127840  0.634239  0.533102  1
  Fe  Fe94  1  0.082297  0.265709  0.544570  1
  Fe  Fe95  1  0.585981  0.767107  0.543598  1
  Fe  Fe96  1  0.631413  0.135246  0.532223  1
  Fe  Fe97  1  0.117458  0.830730  0.535673  1
  Fe  Fe98  1  0.194269  0.107103  0.516382  1
  Fe  Fe99  1  0.596086  0.570298  0.541044  1
  Fe  Fe100  1  0.518934  0.293792  0.560603  1
  Fe  Fe101  1  0.914800  0.543907  0.509377  1
  Fe  Fe102  1  0.525772  0.441284  0.510491  1
  Fe  Fe103  1  0.372217  0.927394  0.519973  1
  Fe  Fe104  1  0.922018  0.003763  0.536680  1
  Fe  Fe105  1  0.834826  0.657436  0.562222  1
  Fe  Fe106  1  0.382597  0.244307  0.513758  1
  Fe  Fe107  1  0.327130  0.669689  0.563997  1
  Fe  Fe108  1  0.884111  0.229852  0.513457  1
  Fe  Fe109  1  0.880079  0.743461  0.514593  1
  Fe  Fe110  1  0.331666  0.156475  0.563019  1
  Fe  Fe111  1  0.387246  0.731193  0.512627  1
  Fe  Fe112  1  0.829385  0.171131  0.563482  1
  Fe  Fe113  1  0.486538  0.283550  0.617271  1
  Fe  Fe114  1  0.037416  0.360124  0.634285  1
  Fe  Fe115  1  0.882316  0.844778  0.642350  1
  Fe  Fe116  1  0.492262  0.742754  0.644340  1
  Fe  Fe117  1  0.887183  0.317117  0.593633  1
  Fe  Fe118  1  0.702031  0.351430  0.640409  1
  Fe  Fe119  1  0.213634  0.855238  0.637132  1
  Fe  Fe120  1  0.398627  0.820704  0.590578  1
  Fe  Fe121  1  0.821930  0.519138  0.609955  1
  Fe  Fe122  1  0.777654  0.151835  0.621541  1
  Fe  Fe123  1  0.281007  0.653159  0.620446  1
  Fe  Fe124  1  0.325519  0.021566  0.608942  1
  Fe  Fe125  1  0.812069  0.715938  0.612369  1
  Fe  Fe126  1  0.889749  0.993609  0.593046  1
  Fe  Fe127  1  0.291097  0.455895  0.618092  1
  Fe  Fe128  1  0.213724  0.179411  0.637481  1
  Fe  Fe129  1  0.608826  0.429973  0.586489  1
  Fe  Fe130  1  0.219725  0.327275  0.587399  1
  Fe  Fe131  1  0.066684  0.812806  0.597070  1
  Fe  Fe132  1  0.615575  0.889564  0.613511  1
  Fe  Fe133  1  0.527255  0.542967  0.639098  1
  Fe  Fe134  1  0.075998  0.131174  0.590947  1
  Fe  Fe135  1  0.020581  0.554983  0.641604  1
  Fe  Fe136  1  0.578604  0.116360  0.590218  1
  Fe  Fe137  1  0.573441  0.629121  0.591208  1
  Fe  Fe138  1  0.025938  0.042901  0.639900  1
  Fe  Fe139  1  0.081367  0.616119  0.589522  1
  Fe  Fe140  1  0.523745  0.056399  0.640274  1
  Fe  Fe141  1  0.181825  0.168677  0.694123  1
  Fe  Fe142  1  0.729727  0.245205  0.710507  1
  Fe  Fe143  1  0.585404  0.733052  0.720913  1
  Fe  Fe144  1  0.207693  0.639010  0.723076  1
  Fe  Fe145  1  0.582155  0.203081  0.670319  1
  Fe  Fe146  1  0.403486  0.241579  0.715277  1
  Fe  Fe147  1  0.909591  0.744488  0.712538  1
  Fe  Fe148  1  0.091543  0.706517  0.667421  1
  Fe  Fe149  1  0.517746  0.407520  0.687132  1
  Fe  Fe150  1  0.470233  0.036615  0.698366  1
  Fe  Fe151  1  0.977720  0.538608  0.698818  1
  Fe  Fe152  1  0.023245  0.905385  0.683165  1
  Fe  Fe153  1  0.506378  0.603652  0.689243  1
  Fe  Fe154  1  0.579308  0.879143  0.670185  1
  Fe  Fe155  1  0.984153  0.342395  0.696142  1
  Fe  Fe156  1  0.906179  0.066308  0.714226  1
  Fe  Fe157  1  0.300151  0.315647  0.663253  1
  Fe  Fe158  1  0.914607  0.213637  0.664617  1
  Fe  Fe159  1  0.761334  0.702770  0.672734  1
  Fe  Fe160  1  0.311875  0.775549  0.690258  1
  Fe  Fe161  1  0.233394  0.428489  0.715867  1
  Fe  Fe162  1  0.771021  0.018425  0.667326  1
  Fe  Fe163  1  0.723128  0.446234  0.718503  1
  Fe  Fe164  1  0.273258  0.000296  0.667391  1
  Fe  Fe165  1  0.265987  0.515689  0.669377  1
  Fe  Fe166  1  0.720830  0.930733  0.716409  1
  Fe  Fe167  1  0.775008  0.503636  0.666339  1
  Fe  Fe168  1  0.220753  0.945339  0.718072  1
  C  C169  1  0.570677  0.638146  0.295149  1
  C  C170  1  0.610324  0.000522  0.283140  1
  C  C171  1  0.977386  0.448811  0.319385  1
  C  C172  1  0.932890  0.084503  0.330337  1
  C  C173  1  0.906707  0.711718  0.285101  1
  C  C174  1  0.286398  0.917731  0.296696  1
  C  C175  1  0.348735  0.417044  0.298346  1
  C  C176  1  0.858349  0.229895  0.275968  1
  C  C177  1  0.645348  0.368065  0.331201  1
  C  C178  1  0.260511  0.164079  0.319427  1
  C  C179  1  0.205013  0.664420  0.317897  1
  C  C180  1  0.685602  0.856299  0.339409  1
  C  C181  1  0.266368  0.522618  0.372944  1
  C  C182  1  0.314752  0.887376  0.361277  1
  C  C183  1  0.671894  0.334388  0.396302  1
  C  C184  1  0.625726  0.970700  0.408228  1
  C  C185  1  0.599552  0.604163  0.361178  1
  C  C186  1  0.981766  0.808809  0.372600  1
  C  C187  1  0.041729  0.301633  0.374894  1
  C  C188  1  0.561515  0.116192  0.352405  1
  C  C189  1  0.340462  0.253799  0.408028  1
  C  C190  1  0.955927  0.051394  0.396364  1
  C  C191  1  0.896340  0.555106  0.393847  1
  C  C192  1  0.378603  0.741678  0.416352  1
  C  C193  1  0.960314  0.408796  0.449409  1
  C  C194  1  0.006647  0.773317  0.437739  1
  C  C195  1  0.366661  0.220646  0.473203  1
  C  C196  1  0.319117  0.856348  0.485040  1
  C  C197  1  0.292447  0.489970  0.437863  1
  C  C198  1  0.676501  0.692732  0.449393  1
  C  C199  1  0.735870  0.189014  0.452080  1
  C  C200  1  0.254523  0.001938  0.429765  1
  C  C201  1  0.033861  0.139863  0.485107  1
  C  C202  1  0.650480  0.936770  0.473642  1
  C  C203  1  0.591116  0.440527  0.470873  1
  C  C204  1  0.072421  0.627370  0.493208  1
  C  C205  1  0.653691  0.294619  0.526631  1
  C  C206  1  0.701235  0.658917  0.514795  1
  C  C207  1  0.060038  0.106469  0.550425  1
  C  C208  1  0.013705  0.741948  0.562095  1
  C  C209  1  0.986491  0.375402  0.514727  1
  C  C210  1  0.369872  0.578495  0.526192  1
  C  C211  1  0.429236  0.074738  0.528961  1
  C  C212  1  0.947931  0.887895  0.506626  1
  C  C213  1  0.727905  0.025295  0.561971  1
  C  C214  1  0.343851  0.822533  0.550441  1
  C  C215  1  0.284482  0.326251  0.547754  1
  C  C216  1  0.765829  0.513327  0.570069  1
  C  C217  1  0.348458  0.180877  0.603533  1
  C  C218  1  0.394626  0.544565  0.591607  1
  C  C219  1  0.753984  0.992647  0.626890  1
  C  C220  1  0.705600  0.627889  0.638557  1
  C  C221  1  0.679890  0.261466  0.591806  1
  C  C222  1  0.064425  0.463871  0.603470  1
  C  C223  1  0.124012  0.960159  0.605988  1
  C  C224  1  0.641748  0.773587  0.583482  1
  C  C225  1  0.420800  0.911102  0.638656  1
  C  C226  1  0.038586  0.706456  0.627235  1
  C  C227  1  0.978623  0.213632  0.624941  1
  C  C228  1  0.458836  0.399073  0.647430  1
  C  C229  1  0.042966  0.066454  0.680449  1
  C  C230  1  0.087461  0.430762  0.669498  1
  C  C231  1  0.449675  0.877119  0.704686  1
  C  C232  1  0.410028  0.514743  0.716695  1
  C  C233  1  0.375004  0.147200  0.668633  1
  C  C234  1  0.759841  0.351186  0.680408  1
  C  C235  1  0.815339  0.850845  0.681937  1
  C  C236  1  0.334750  0.658966  0.660425  1
  C  C237  1  0.113645  0.803547  0.714734  1
  C  C238  1  0.733954  0.597534  0.703138  1
  C  C239  1  0.671617  0.098221  0.701488  1
  C  C240  1  0.162002  0.285370  0.723866  1
