# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71589442
_cell_length_b   16.78919884
_cell_length_c   57.56728398
_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   4557.95240983
_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  0.616624  0.406648  0.332957  1
  Fe  Fe2  1  0.619746  0.106001  0.404197  1
  Fe  Fe3  1  0.118382  0.250696  0.345644  1
  Fe  Fe4  1  0.117870  0.950624  0.417002  1
  Fe  Fe5  1  0.382373  0.415706  0.425528  1
  Fe  Fe6  1  0.385912  0.716026  0.354008  1
  Fe  Fe7  1  0.877824  0.941661  0.324417  1
  Fe  Fe8  1  0.879773  0.641108  0.395873  1
  Fe  Fe9  1  0.233489  0.198574  0.382461  1
  Fe  Fe10  1  0.233505  0.496295  0.311422  1
  Fe  Fe11  1  0.728664  0.157760  0.367589  1
  Fe  Fe12  1  0.762371  0.449614  0.296357  1
  Fe  Fe13  1  0.772527  0.507848  0.403316  1
  Fe  Fe14  1  0.758567  0.804272  0.332449  1
  Fe  Fe15  1  0.267829  0.549044  0.418163  1
  Fe  Fe16  1  0.269896  0.847848  0.346991  1
  Fe  Fe17  1  0.245402  0.108474  0.349959  1
  Fe  Fe18  1  0.243997  0.808046  0.421394  1
  Fe  Fe19  1  0.744363  0.248243  0.400148  1
  Fe  Fe20  1  0.739789  0.546698  0.328550  1
  Fe  Fe21  1  0.753737  0.203669  0.291906  1
  Fe  Fe22  1  0.751284  0.899192  0.364123  1
  Fe  Fe23  1  0.255079  0.458406  0.385742  1
  Fe  Fe24  1  0.245392  0.753293  0.312736  1
  Fe  Fe25  1  0.412791  0.027406  0.320878  1
  Fe  Fe26  1  0.411279  0.727491  0.392801  1
  Fe  Fe27  1  0.926345  0.922482  0.285522  1
  Fe  Fe28  1  0.911952  0.628749  0.357131  1
  Fe  Fe29  1  0.594755  0.280228  0.322107  1
  Fe  Fe30  1  0.586950  0.978525  0.392985  1
  Fe  Fe31  1  0.089124  0.377148  0.357244  1
  Fe  Fe32  1  0.088428  0.077884  0.428356  1
  Fe  Fe33  1  0.120690  0.365976  0.318511  1
  Fe  Fe34  1  0.119166  0.065359  0.389693  1
  Fe  Fe35  1  0.619906  0.290936  0.360378  1
  Fe  Fe36  1  0.622706  0.587257  0.288203  1
  Fe  Fe37  1  0.906027  0.060207  0.296569  1
  Fe  Fe38  1  0.882482  0.756156  0.368436  1
  Fe  Fe39  1  0.377131  0.898427  0.309695  1
  Fe  Fe40  1  0.382320  0.600690  0.381374  1
  Fe  Fe41  1  0.753612  0.028204  0.352814  1
  Fe  Fe42  1  0.754496  0.728125  0.424496  1
  Fe  Fe43  1  0.254296  0.328475  0.397023  1
  Fe  Fe44  1  0.255589  0.626444  0.325141  1
  Fe  Fe45  1  0.247169  0.171853  0.314765  1
  Fe  Fe46  1  0.244001  0.872015  0.386591  1
  Fe  Fe47  1  0.744425  0.484852  0.363566  1
  Fe  Fe48  1  0.744184  0.785408  0.291938  1
  Fe  Fe49  1  0.256093  0.278080  0.290017  1
  Fe  Fe50  1  0.245514  0.978266  0.361144  1
  Fe  Fe51  1  0.746806  0.377684  0.388905  1
  Fe  Fe52  1  0.758529  0.674293  0.317268  1
  Fe  Fe53  1  0.766121  0.136750  0.328428  1
  Fe  Fe54  1  0.755208  0.834942  0.399186  1
  Fe  Fe55  1  0.254672  0.221836  0.422352  1
  Fe  Fe56  1  0.256024  0.521670  0.351041  1
  Fe  Fe57  1  0.619228  0.806675  0.475690  1
  Fe  Fe58  1  0.620322  0.507338  0.547037  1
  Fe  Fe59  1  0.119945  0.651117  0.488653  1
  Fe  Fe60  1  0.120429  0.351680  0.559982  1
  Fe  Fe61  1  0.380802  0.817041  0.568401  1
  Fe  Fe62  1  0.380958  0.116322  0.496876  1
  Fe  Fe63  1  0.881545  0.341309  0.467389  1
  Fe  Fe64  1  0.881097  0.041870  0.538768  1
  Fe  Fe65  1  0.232106  0.600150  0.525261  1
  Fe  Fe66  1  0.231127  0.899219  0.453853  1
  Fe  Fe67  1  0.731095  0.558229  0.510490  1
  Fe  Fe68  1  0.730065  0.857935  0.438999  1
  Fe  Fe69  1  0.769315  0.908782  0.546144  1
  Fe  Fe70  1  0.768337  0.207851  0.474735  1
  Fe  Fe71  1  0.270377  0.950066  0.560997  1
  Fe  Fe72  1  0.269347  0.249772  0.489506  1
  Fe  Fe73  1  0.244876  0.508795  0.492770  1
  Fe  Fe74  1  0.244750  0.209213  0.564146  1
  Fe  Fe75  1  0.745213  0.649776  0.543009  1
  Fe  Fe76  1  0.745439  0.949147  0.471489  1
  Fe  Fe77  1  0.755693  0.598788  0.435850  1
  Fe  Fe78  1  0.755567  0.299206  0.507227  1
  Fe  Fe79  1  0.255004  0.858854  0.528508  1
  Fe  Fe80  1  0.255229  0.158225  0.456987  1
  Fe  Fe81  1  0.412156  0.428344  0.464131  1
  Fe  Fe82  1  0.412035  0.128806  0.535534  1
  Fe  Fe83  1  0.911696  0.328732  0.428757  1
  Fe  Fe84  1  0.911981  0.029390  0.500120  1
  Fe  Fe85  1  0.588407  0.679195  0.464463  1
  Fe  Fe86  1  0.588287  0.379657  0.535865  1
  Fe  Fe87  1  0.088462  0.778611  0.499876  1
  Fe  Fe88  1  0.088746  0.479269  0.571239  1
  Fe  Fe89  1  0.119346  0.766131  0.461229  1
  Fe  Fe90  1  0.118897  0.466692  0.532607  1
  Fe  Fe91  1  0.619485  0.691679  0.503120  1
  Fe  Fe92  1  0.619640  0.990961  0.431596  1
  Fe  Fe93  1  0.880013  0.456321  0.440014  1
  Fe  Fe94  1  0.880497  0.156884  0.511343  1
  Fe  Fe95  1  0.380121  0.300663  0.452960  1
  Fe  Fe96  1  0.381214  0.001326  0.524306  1
  Fe  Fe97  1  0.754415  0.428630  0.495915  1
  Fe  Fe98  1  0.755235  0.129236  0.567351  1
  Fe  Fe99  1  0.254525  0.729722  0.539844  1
  Fe  Fe100  1  0.254460  0.028920  0.468329  1
  Fe  Fe101  1  0.245183  0.572376  0.458103  1
  Fe  Fe102  1  0.245044  0.272903  0.529415  1
  Fe  Fe103  1  0.745180  0.885436  0.506267  1
  Fe  Fe104  1  0.745489  0.184594  0.434792  1
  Fe  Fe105  1  0.245207  0.678765  0.432645  1
  Fe  Fe106  1  0.246028  0.379371  0.504081  1
  Fe  Fe107  1  0.745982  0.779081  0.531667  1
  Fe  Fe108  1  0.745917  0.078279  0.460152  1
  Fe  Fe109  1  0.755398  0.535099  0.470581  1
  Fe  Fe110  1  0.755259  0.235625  0.541893  1
  Fe  Fe111  1  0.254954  0.623407  0.565204  1
  Fe  Fe112  1  0.255262  0.922565  0.493729  1
  Fe  Fe113  1  0.618123  0.207311  0.618622  1
  Fe  Fe114  1  0.623311  0.909574  0.690301  1
  Fe  Fe115  1  0.117960  0.051845  0.631561  1
  Fe  Fe116  1  0.094416  0.747794  0.703427  1
  Fe  Fe117  1  0.377737  0.220744  0.711793  1
  Fe  Fe118  1  0.380536  0.517065  0.639618  1
  Fe  Fe119  1  0.881276  0.742642  0.610304  1
  Fe  Fe120  1  0.879753  0.442025  0.681485  1
  Fe  Fe121  1  0.241876  0.003729  0.667548  1
  Fe  Fe122  1  0.227915  0.300153  0.596681  1
  Fe  Fe123  1  0.730546  0.960153  0.653005  1
  Fe  Fe124  1  0.732614  0.258957  0.581834  1
  Fe  Fe125  1  0.766937  0.311706  0.688575  1
  Fe  Fe126  1  0.766953  0.609427  0.617535  1
  Fe  Fe127  1  0.238071  0.358387  0.703639  1
  Fe  Fe128  1  0.271778  0.650241  0.632408  1
  Fe  Fe129  1  0.249158  0.908809  0.635874  1
  Fe  Fe130  1  0.246706  0.604332  0.708091  1
  Fe  Fe131  1  0.755050  0.054708  0.687261  1
  Fe  Fe132  1  0.745364  0.349595  0.614255  1
  Fe  Fe133  1  0.756445  -0.000045  0.578602  1
  Fe  Fe134  1  0.755040  0.699527  0.650037  1
  Fe  Fe135  1  0.260654  0.261303  0.671446  1
  Fe  Fe136  1  0.256079  0.559758  0.599849  1
  Fe  Fe137  1  0.413492  0.829476  0.607012  1
  Fe  Fe138  1  0.405688  0.527773  0.677889  1
  Fe  Fe139  1  0.912014  0.730117  0.571641  1
  Fe  Fe140  1  0.911318  0.430853  0.642752  1
  Fe  Fe141  1  0.589163  0.080511  0.607195  1
  Fe  Fe142  1  0.587651  0.780595  0.679119  1
  Fe  Fe143  1  0.088490  0.179252  0.642865  1
  Fe  Fe144  1  0.074097  0.885519  0.714474  1
  Fe  Fe145  1  0.120670  0.166893  0.604124  1
  Fe  Fe146  1  0.122619  0.866340  0.675579  1
  Fe  Fe147  1  0.614530  0.091975  0.645989  1
  Fe  Fe148  1  0.618069  0.392295  0.574468  1
  Fe  Fe149  1  0.882573  0.857377  0.582994  1
  Fe  Fe150  1  0.882060  0.557305  0.654352  1
  Fe  Fe151  1  0.380696  0.702001  0.595799  1
  Fe  Fe152  1  0.383818  0.401353  0.667039  1
  Fe  Fe153  1  0.754928  0.829735  0.638853  1
  Fe  Fe154  1  0.744349  0.529921  0.709979  1
  Fe  Fe155  1  0.241913  0.133708  0.682728  1
  Fe  Fe156  1  0.253637  0.430317  0.611092  1
  Fe  Fe157  1  0.245235  0.973059  0.600811  1
  Fe  Fe158  1  0.234322  0.671251  0.671569  1
  Fe  Fe159  1  0.744419  0.286331  0.648956  1
  Fe  Fe160  1  0.745770  0.586165  0.577645  1
  Fe  Fe161  1  0.245947  0.079877  0.575500  1
  Fe  Fe162  1  0.246831  0.779797  0.647183  1
  Fe  Fe163  1  0.744854  0.181557  0.674856  1
  Fe  Fe164  1  0.746146  0.479526  0.602974  1
  Fe  Fe165  1  0.756441  0.935986  0.613405  1
  Fe  Fe166  1  0.753274  0.636148  0.685232  1
  Fe  Fe167  1  0.256259  0.022593  0.708059  1
  Fe  Fe168  1  0.256017  0.323149  0.636431  1
  C  C169  1  0.480415  0.397650  0.364311  1
  C  C170  1  0.494681  0.694911  0.292560  1
  C  C171  1  0.983439  0.259211  0.314236  1
  C  C172  1  0.978276  0.958809  0.385721  1
  C  C173  1  0.519961  0.308768  0.421695  1
  C  C174  1  0.520173  0.608826  0.350043  1
  C  C175  1  0.022485  0.047763  0.328359  1
  C  C176  1  0.019579  0.747789  0.399778  1
  C  C177  1  0.982903  0.157658  0.405989  1
  C  C178  1  0.981255  0.457299  0.335095  1
  C  C179  1  0.481931  0.199282  0.343871  1
  C  C180  1  0.480917  0.898827  0.415361  1
  C  C181  1  0.018761  0.419819  0.410488  1
  C  C182  1  0.022525  0.719717  0.338933  1
  C  C183  1  0.517385  0.636420  0.411104  1
  C  C184  1  0.513176  0.935900  0.339230  1
  C  C185  1  0.018863  0.549218  0.379548  1
  C  C186  1  0.013479  0.846683  0.309500  1
  C  C187  1  0.542346  0.110213  0.300396  1
  C  C188  1  0.519637  0.807780  0.370697  1
  C  C189  1  0.983268  0.285824  0.375436  1
  C  C190  1  0.982355  0.582739  0.303886  1
  C  C191  1  0.482538  0.069577  0.374607  1
  C  C192  1  0.483317  0.369594  0.303307  1
  C  C193  1  0.480180  0.798442  0.506980  1
  C  C194  1  0.480117  0.097691  0.435468  1
  C  C195  1  0.980175  0.659358  0.457385  1
  C  C196  1  0.979978  0.359891  0.528739  1
  C  C197  1  0.520326  0.710310  0.564528  1
  C  C198  1  0.520263  0.009559  0.493016  1
  C  C199  1  0.020464  0.448110  0.471258  1
  C  C200  1  0.020268  0.148643  0.542611  1
  C  C201  1  0.983216  0.559094  0.548887  1
  C  C202  1  0.982308  0.858351  0.477514  1
  C  C203  1  0.482968  0.599402  0.486827  1
  C  C204  1  0.483097  0.299774  0.558215  1
  C  C205  1  0.017495  0.821187  0.553305  1
  C  C206  1  0.017743  0.120392  0.481762  1
  C  C207  1  0.517996  0.037849  0.553898  1
  C  C208  1  0.518217  0.337366  0.482488  1
  C  C209  1  0.018134  0.949650  0.522482  1
  C  C210  1  0.017226  0.248907  0.451109  1
  C  C211  1  0.517345  0.508227  0.441782  1
  C  C212  1  0.517474  0.208599  0.513170  1
  C  C213  1  0.982699  0.687609  0.518234  1
  C  C214  1  0.982947  0.986814  0.446692  1
  C  C215  1  0.482225  0.470635  0.517509  1
  C  C216  1  0.482446  0.770152  0.446098  1
  C  C217  1  0.480269  0.199176  0.649954  1
  C  C218  1  0.480481  0.499233  0.578301  1
  C  C219  1  0.980864  0.060212  0.600218  1
  C  C220  1  0.977957  0.760238  0.671638  1
  C  C221  1  0.505761  0.113090  0.707437  1
  C  C222  1  0.520028  0.410351  0.635685  1
  C  C223  1  0.022167  0.849192  0.614276  1
  C  C224  1  0.017004  0.548790  0.685760  1
  C  C225  1  0.986963  0.961319  0.690497  1
  C  C226  1  0.981579  0.258783  0.620449  1
  C  C227  1  0.480806  0.000221  0.629300  1
  C  C228  1  0.458097  0.697788  0.699600  1
  C  C229  1  0.018088  0.225262  0.696111  1
  C  C230  1  0.017175  0.522177  0.624560  1
  C  C231  1  0.517126  0.438407  0.696690  1
  C  C232  1  0.517904  0.738424  0.625390  1
  C  C233  1  0.019187  0.350702  0.664901  1
  C  C234  1  0.017540  0.650343  0.594008  1
  C  C235  1  0.519525  0.909175  0.584635  1
  C  C236  1  0.518512  0.608719  0.656125  1
  C  C237  1  0.977918  0.088284  0.661064  1
  C  C238  1  0.981681  0.388182  0.589508  1
  C  C239  1  0.487267  0.872101  0.660767  1
  C  C240  1  0.483057  0.171581  0.588892  1
