# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08032824
_cell_length_b   17.74677459
_cell_length_c   52.76925060
_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   3821.16209606
_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  0.709343  0.337078  0.255814  1
  Fe  Fe2  1  0.747018  0.976744  0.300513  1
  Fe  Fe3  1  0.746138  0.620212  0.341870  1
  Fe  Fe4  1  0.246597  0.430264  0.351651  1
  Fe  Fe5  1  0.239548  0.144104  0.267980  1
  Fe  Fe6  1  0.244265  0.787242  0.309994  1
  Fe  Fe7  1  0.034738  0.420892  0.286469  1
  Fe  Fe8  1  0.033954  0.065759  0.327864  1
  Fe  Fe9  1  0.036632  0.707989  0.369685  1
  Fe  Fe10  1  0.534392  0.448489  0.311416  1
  Fe  Fe11  1  0.535606  0.091366  0.353151  1
  Fe  Fe12  1  0.532803  0.806396  0.270280  1
  Fe  Fe13  1  0.535093  0.473098  0.265752  1
  Fe  Fe14  1  0.531258  0.117723  0.307719  1
  Fe  Fe15  1  0.534125  0.759839  0.349616  1
  Fe  Fe16  1  0.036273  0.168984  0.358167  1
  Fe  Fe17  1  0.033195  0.881238  0.274580  1
  Fe  Fe18  1  0.035299  0.526348  0.316469  1
  Fe  Fe19  1  0.029458  0.194818  0.312720  1
  Fe  Fe20  1  0.033981  0.837965  0.354597  1
  Fe  Fe21  1  0.037818  0.551972  0.271332  1
  Fe  Fe22  1  0.534346  0.220825  0.337722  1
  Fe  Fe23  1  0.536160  0.935445  0.255289  1
  Fe  Fe24  1  0.539603  0.578404  0.296653  1
  Fe  Fe25  1  0.745955  0.309748  0.301308  1
  Fe  Fe26  1  0.742698  0.953437  0.342902  1
  Fe  Fe27  1  0.766017  0.663651  0.258130  1
  Fe  Fe28  1  0.245314  0.333335  0.323344  1
  Fe  Fe29  1  0.247376  0.975878  0.364960  1
  Fe  Fe30  1  0.251880  0.690228  0.281411  1
  Fe  Fe31  1  0.244933  0.308749  0.365762  1
  Fe  Fe32  1  0.252385  0.024636  0.282403  1
  Fe  Fe33  1  0.247105  0.666050  0.324419  1
  Fe  Fe34  1  0.739521  0.212760  0.272543  1
  Fe  Fe35  1  0.743936  0.855758  0.314363  1
  Fe  Fe36  1  0.746672  0.498875  0.356152  1
  Fe  Fe37  1  0.751666  0.357327  0.347004  1
  Fe  Fe38  1  0.753578  0.071861  0.263130  1
  Fe  Fe39  1  0.746402  0.713527  0.305698  1
  Fe  Fe40  1  0.241664  0.286803  0.277496  1
  Fe  Fe41  1  0.246283  0.929393  0.319638  1
  Fe  Fe42  1  0.251008  0.571627  0.360840  1
  Fe  Fe43  1  0.747715  0.263444  0.383572  1
  Fe  Fe44  1  0.747017  0.906155  0.425219  1
  Fe  Fe45  1  0.746860  0.548904  0.466916  1
  Fe  Fe46  1  0.245873  0.359085  0.476612  1
  Fe  Fe47  1  0.245228  0.073798  0.393224  1
  Fe  Fe48  1  0.246570  0.716225  0.434997  1
  Fe  Fe49  1  0.034962  0.351158  0.411323  1
  Fe  Fe50  1  0.035260  0.994192  0.452948  1
  Fe  Fe51  1  0.035573  0.636880  0.494627  1
  Fe  Fe52  1  0.535242  0.376949  0.436438  1
  Fe  Fe53  1  0.535573  0.019939  0.478101  1
  Fe  Fe54  1  0.536095  0.734211  0.394869  1
  Fe  Fe55  1  0.535125  0.402895  0.391171  1
  Fe  Fe56  1  0.535953  0.045897  0.432767  1
  Fe  Fe57  1  0.535611  0.688669  0.474507  1
  Fe  Fe58  1  0.035659  0.097828  0.483162  1
  Fe  Fe59  1  0.035622  0.812053  0.399852  1
  Fe  Fe60  1  0.035934  0.454767  0.441570  1
  Fe  Fe61  1  0.035578  0.123815  0.437825  1
  Fe  Fe62  1  0.035839  0.766521  0.479493  1
  Fe  Fe63  1  0.035267  0.480763  0.396297  1
  Fe  Fe64  1  0.535220  0.149545  0.462991  1
  Fe  Fe65  1  0.534841  0.863830  0.379721  1
  Fe  Fe66  1  0.535782  0.506660  0.421395  1
  Fe  Fe67  1  0.747817  0.238933  0.425974  1
  Fe  Fe68  1  0.746801  0.881930  0.467707  1
  Fe  Fe69  1  0.748726  0.595698  0.384495  1
  Fe  Fe70  1  0.247481  0.261784  0.448284  1
  Fe  Fe71  1  0.247273  0.904705  0.489896  1
  Fe  Fe72  1  0.247523  0.618866  0.406708  1
  Fe  Fe73  1  0.246611  0.237394  0.490779  1
  Fe  Fe74  1  0.247231  0.951844  0.407421  1
  Fe  Fe75  1  0.247463  0.594601  0.449188  1
  Fe  Fe76  1  0.744330  0.141423  0.397584  1
  Fe  Fe77  1  0.746506  0.784517  0.439371  1
  Fe  Fe78  1  0.746559  0.427279  0.481076  1
  Fe  Fe79  1  0.751470  0.286226  0.471962  1
  Fe  Fe80  1  0.751790  0.000694  0.388580  1
  Fe  Fe81  1  0.751973  0.643346  0.430245  1
  Fe  Fe82  1  0.252666  0.214269  0.402263  1
  Fe  Fe83  1  0.251885  0.857381  0.444112  1
  Fe  Fe84  1  0.252411  0.500178  0.485739  1
  Fe  Fe85  1  0.746611  0.191910  0.508531  1
  Fe  Fe86  1  0.747463  0.834703  0.550122  1
  Fe  Fe87  1  0.747231  0.477460  0.591889  1
  Fe  Fe88  1  0.244330  0.287881  0.601726  1
  Fe  Fe89  1  0.246559  0.002024  0.518234  1
  Fe  Fe90  1  0.246506  0.644786  0.559939  1
  Fe  Fe91  1  0.035220  0.279758  0.536319  1
  Fe  Fe92  1  0.035782  0.922643  0.577915  1
  Fe  Fe93  1  0.034841  0.565474  0.619589  1
  Fe  Fe94  1  0.535578  0.305489  0.561485  1
  Fe  Fe95  1  0.535267  0.948541  0.603013  1
  Fe  Fe96  1  0.535839  0.662783  0.519817  1
  Fe  Fe97  1  0.535659  0.331476  0.516148  1
  Fe  Fe98  1  0.535934  0.974537  0.557740  1
  Fe  Fe99  1  0.535622  0.617251  0.599458  1
  Fe  Fe100  1  0.035125  0.026409  0.608139  1
  Fe  Fe101  1  0.035611  0.740634  0.524802  1
  Fe  Fe102  1  0.035953  0.383407  0.566543  1
  Fe  Fe103  1  0.035242  0.052355  0.562872  1
  Fe  Fe104  1  0.036095  0.695092  0.604441  1
  Fe  Fe105  1  0.035573  0.409364  0.521209  1
  Fe  Fe106  1  0.534962  0.078145  0.587986  1
  Fe  Fe107  1  0.535573  0.792424  0.504683  1
  Fe  Fe108  1  0.535260  0.435111  0.546362  1
  Fe  Fe109  1  0.747481  0.167519  0.551026  1
  Fe  Fe110  1  0.747523  0.810438  0.592602  1
  Fe  Fe111  1  0.747273  0.524598  0.509414  1
  Fe  Fe112  1  0.247817  0.190370  0.573336  1
  Fe  Fe113  1  0.248726  0.833605  0.614815  1
  Fe  Fe114  1  0.246801  0.547374  0.531602  1
  Fe  Fe115  1  0.247715  0.165860  0.615738  1
  Fe  Fe116  1  0.246860  0.880400  0.532394  1
  Fe  Fe117  1  0.247017  0.523148  0.574091  1
  Fe  Fe118  1  0.745873  0.070218  0.522698  1
  Fe  Fe119  1  0.746570  0.713078  0.564313  1
  Fe  Fe120  1  0.745228  0.355505  0.606086  1
  Fe  Fe121  1  0.752666  0.215034  0.597047  1
  Fe  Fe122  1  0.752411  0.929126  0.513570  1
  Fe  Fe123  1  0.751885  0.571922  0.555198  1
  Fe  Fe124  1  0.251470  0.143078  0.527348  1
  Fe  Fe125  1  0.251973  0.785958  0.569065  1
  Fe  Fe126  1  0.251790  0.428610  0.610730  1
  Fe  Fe127  1  0.744933  0.120554  0.633547  1
  Fe  Fe128  1  0.747105  0.763253  0.674891  1
  Fe  Fe129  1  0.752385  0.404668  0.716907  1
  Fe  Fe130  1  0.239521  0.216543  0.726767  1
  Fe  Fe131  1  0.246672  0.930428  0.643158  1
  Fe  Fe132  1  0.243936  0.573546  0.684946  1
  Fe  Fe133  1  0.034346  0.208478  0.661588  1
  Fe  Fe134  1  0.039603  0.850900  0.702657  1
  Fe  Fe135  1  0.036160  0.493859  0.744021  1
  Fe  Fe136  1  0.529458  0.234486  0.686590  1
  Fe  Fe137  1  0.537818  0.877331  0.727978  1
  Fe  Fe138  1  0.533981  0.591339  0.644713  1
  Fe  Fe139  1  0.536273  0.260319  0.641143  1
  Fe  Fe140  1  0.535299  0.902956  0.682841  1
  Fe  Fe141  1  0.533195  0.548065  0.724730  1
  Fe  Fe142  1  0.035093  0.956205  0.733558  1
  Fe  Fe143  1  0.034125  0.669464  0.649693  1
  Fe  Fe144  1  0.031258  0.311581  0.691591  1
  Fe  Fe145  1  0.034392  0.980814  0.687894  1
  Fe  Fe146  1  0.032803  0.622907  0.729030  1
  Fe  Fe147  1  0.035606  0.337938  0.646159  1
  Fe  Fe148  1  0.534738  0.008412  0.712841  1
  Fe  Fe149  1  0.536632  0.721314  0.629625  1
  Fe  Fe150  1  0.533954  0.363545  0.671446  1
  Fe  Fe151  1  0.745314  0.095969  0.675966  1
  Fe  Fe152  1  0.751880  0.739076  0.717899  1
  Fe  Fe153  1  0.747376  0.453425  0.634350  1
  Fe  Fe154  1  0.245955  0.119556  0.698002  1
  Fe  Fe155  1  0.266017  0.765652  0.741180  1
  Fe  Fe156  1  0.242698  0.475867  0.656408  1
  Fe  Fe157  1  0.209343  0.092225  0.743496  1
  Fe  Fe158  1  0.246138  0.809092  0.657440  1
  Fe  Fe159  1  0.247018  0.452560  0.698797  1
  Fe  Fe160  1  0.746597  0.999039  0.647659  1
  Fe  Fe161  1  0.744265  0.642062  0.689316  1
  Fe  Fe162  1  0.739548  0.285199  0.731330  1
  Fe  Fe163  1  0.741664  0.142501  0.721814  1
  Fe  Fe164  1  0.751008  0.857676  0.638469  1
  Fe  Fe165  1  0.746283  0.499910  0.679672  1
  Fe  Fe166  1  0.251666  0.071977  0.652306  1
  Fe  Fe167  1  0.246402  0.715777  0.693612  1
  Fe  Fe168  1  0.253578  0.357442  0.736180  1
  C  C169  1  0.966937  0.262798  0.340718  1
  C  C170  1  0.969825  0.976826  0.258091  1
  C  C171  1  0.972349  0.620559  0.299085  1
  C  C172  1  0.460898  0.223435  0.301705  1
  C  C173  1  0.466805  0.865638  0.343648  1
  C  C174  1  0.471671  0.579379  0.260588  1
  C  C175  1  0.469420  0.183589  0.371605  1
  C  C176  1  0.460143  0.897926  0.288960  1
  C  C177  1  0.467196  0.539979  0.330274  1
  C  C178  1  0.971525  0.459918  0.252821  1
  C  C179  1  0.963156  0.102928  0.294050  1
  C  C180  1  0.966736  0.746058  0.335979  1
  C  C181  1  0.966298  0.420618  0.322536  1
  C  C182  1  0.968297  0.063121  0.363961  1
  C  C183  1  0.962673  0.775763  0.281031  1
  C  C184  1  0.469085  0.379897  0.283636  1
  C  C185  1  0.466669  0.023698  0.325181  1
  C  C186  1  0.469217  0.665829  0.367055  1
  C  C187  1  0.967552  0.191765  0.465743  1
  C  C188  1  0.967130  0.906070  0.382485  1
  C  C189  1  0.968202  0.548800  0.424203  1
  C  C190  1  0.468231  0.151758  0.426909  1
  C  C191  1  0.468515  0.794530  0.468602  1
  C  C192  1  0.467618  0.508767  0.385326  1
  C  C193  1  0.468375  0.111761  0.496771  1
  C  C194  1  0.468076  0.826067  0.413505  1
  C  C195  1  0.468751  0.468729  0.455153  1
  C  C196  1  0.967890  0.389067  0.377561  1
  C  C197  1  0.968697  0.031966  0.419162  1
  C  C198  1  0.968061  0.674662  0.460855  1
  C  C199  1  0.967611  0.348919  0.447402  1
  C  C200  1  0.968137  0.991966  0.489029  1
  C  C201  1  0.968751  0.706180  0.405758  1
  C  C202  1  0.467176  0.308884  0.408549  1
  C  C203  1  0.467587  0.951971  0.450189  1
  C  C204  1  0.468053  0.594712  0.491930  1
  C  C205  1  0.967176  0.120420  0.590761  1
  C  C206  1  0.968053  0.834592  0.507380  1
  C  C207  1  0.967587  0.477332  0.549121  1
  C  C208  1  0.467611  0.080385  0.551908  1
  C  C209  1  0.468751  0.723123  0.593552  1
  C  C210  1  0.468137  0.437338  0.510281  1
  C  C211  1  0.467890  0.040236  0.621749  1
  C  C212  1  0.468061  0.754641  0.538455  1
  C  C213  1  0.468697  0.397338  0.580148  1
  C  C214  1  0.968375  0.317543  0.502539  1
  C  C215  1  0.968751  0.960575  0.544156  1
  C  C216  1  0.968076  0.603237  0.585805  1
  C  C217  1  0.968231  0.277546  0.572401  1
  C  C218  1  0.967618  0.920537  0.613984  1
  C  C219  1  0.968515  0.634774  0.530708  1
  C  C220  1  0.467552  0.237539  0.533567  1
  C  C221  1  0.468202  0.880503  0.575107  1
  C  C222  1  0.467130  0.523233  0.616824  1
  C  C223  1  0.969085  0.049407  0.715674  1
  C  C224  1  0.969217  0.763474  0.632255  1
  C  C225  1  0.966669  0.405605  0.674129  1
  C  C226  1  0.466298  0.008686  0.676774  1
  C  C227  1  0.462673  0.653540  0.718279  1
  C  C228  1  0.468297  0.366182  0.635349  1
  C  C229  1  0.471525  0.969386  0.746488  1
  C  C230  1  0.466736  0.683245  0.663331  1
  C  C231  1  0.463156  0.326376  0.705260  1
  C  C232  1  0.969420  0.245715  0.627705  1
  C  C233  1  0.967196  0.889325  0.669036  1
  C  C234  1  0.960143  0.531377  0.710350  1
  C  C235  1  0.960898  0.205868  0.697605  1
  C  C236  1  0.971671  0.849924  0.738722  1
  C  C237  1  0.966805  0.563665  0.655662  1
  C  C238  1  0.466937  0.166505  0.658591  1
  C  C239  1  0.472349  0.808744  0.700225  1
  C  C240  1  0.469825  0.452478  0.741219  1
