# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.50221727
_cell_length_b   6.61584937
_cell_length_c   48.77215261
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.67385098
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe140 C56'
_cell_volume   3620.98204843
_cell_formula_units_Z   28
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  0.457466  0.040529  0.309364  1
  Fe  Fe2  1  0.199209  0.471768  0.338992  1
  Fe  Fe3  1  0.232791  0.505555  0.290359  1
  Fe  Fe4  1  0.352183  0.314696  0.318652  1
  Fe  Fe5  1  0.385696  0.676126  0.336177  1
  Fe  Fe6  1  0.263588  0.869614  0.308003  1
  Fe  Fe7  1  0.422027  0.713147  0.286865  1
  Fe  Fe8  1  0.159435  0.136532  0.316815  1
  Fe  Fe9  1  0.583367  0.736299  0.326922  1
  Fe  Fe10  1  0.533985  0.444286  0.299933  1
  Fe  Fe11  1  0.957466  0.040529  0.309364  1
  Fe  Fe12  1  0.699209  0.471768  0.338992  1
  Fe  Fe13  1  0.732791  0.505555  0.290359  1
  Fe  Fe14  1  0.852183  0.314696  0.318652  1
  Fe  Fe15  1  0.885696  0.676126  0.336177  1
  Fe  Fe16  1  0.763588  0.869614  0.308003  1
  Fe  Fe17  1  0.922027  0.713147  0.286865  1
  Fe  Fe18  1  0.659435  0.136532  0.316815  1
  Fe  Fe19  1  0.083367  0.736299  0.326922  1
  Fe  Fe20  1  0.033985  0.444286  0.299933  1
  Fe  Fe21  1  0.569706  0.559622  0.372034  1
  Fe  Fe22  1  0.314812  0.990084  0.401105  1
  Fe  Fe23  1  0.344595  0.024049  0.352627  1
  Fe  Fe24  1  0.468304  0.831012  0.380965  1
  Fe  Fe25  1  0.501048  0.194238  0.398540  1
  Fe  Fe26  1  0.376551  0.386200  0.370201  1
  Fe  Fe27  1  0.530388  0.228010  0.350082  1
  Fe  Fe28  1  0.275525  0.658176  0.379225  1
  Fe  Fe29  1  0.698381  0.254424  0.389272  1
  Fe  Fe30  1  0.646884  0.962772  0.362000  1
  Fe  Fe31  1  0.069706  0.559622  0.372034  1
  Fe  Fe32  1  0.814812  0.990084  0.401105  1
  Fe  Fe33  1  0.844595  0.024049  0.352627  1
  Fe  Fe34  1  0.968304  0.831012  0.380965  1
  Fe  Fe35  1  0.001048  0.194238  0.398540  1
  Fe  Fe36  1  0.876551  0.386200  0.370201  1
  Fe  Fe37  1  0.030388  0.228010  0.350082  1
  Fe  Fe38  1  0.775525  0.658176  0.379225  1
  Fe  Fe39  1  0.198381  0.254424  0.389272  1
  Fe  Fe40  1  0.146884  0.962772  0.362000  1
  Fe  Fe41  1  0.685274  0.077874  0.434415  1
  Fe  Fe42  1  0.430180  0.508711  0.463481  1
  Fe  Fe43  1  0.459576  0.542065  0.415073  1
  Fe  Fe44  1  0.583683  0.349518  0.443338  1
  Fe  Fe45  1  0.616471  0.712806  0.460930  1
  Fe  Fe46  1  0.492342  0.905583  0.432670  1
  Fe  Fe47  1  0.645836  0.746227  0.412514  1
  Fe  Fe48  1  0.390790  0.177288  0.441597  1
  Fe  Fe49  1  0.813763  0.773062  0.451698  1
  Fe  Fe50  1  0.762248  0.481829  0.424308  1
  Fe  Fe51  1  0.185274  0.077874  0.434415  1
  Fe  Fe52  1  0.930180  0.508711  0.463481  1
  Fe  Fe53  1  0.959576  0.542065  0.415073  1
  Fe  Fe54  1  0.083683  0.349518  0.443338  1
  Fe  Fe55  1  0.116471  0.712806  0.460930  1
  Fe  Fe56  1  0.992342  0.905583  0.432670  1
  Fe  Fe57  1  0.145836  0.746227  0.412514  1
  Fe  Fe58  1  0.890790  0.177288  0.441597  1
  Fe  Fe59  1  0.313763  0.773062  0.451698  1
  Fe  Fe60  1  0.262248  0.481829  0.424308  1
  Fe  Fe61  1  0.800583  0.596298  0.496803  1
  Fe  Fe62  1  0.545584  0.027256  0.525881  1
  Fe  Fe63  1  0.574930  0.060722  0.477471  1
  Fe  Fe64  1  0.699090  0.867944  0.505751  1
  Fe  Fe65  1  0.731831  0.231316  0.523341  1
  Fe  Fe66  1  0.607671  0.424094  0.495061  1
  Fe  Fe67  1  0.761177  0.264783  0.474931  1
  Fe  Fe68  1  0.506178  0.695740  0.504009  1
  Fe  Fe69  1  0.929109  0.291589  0.514092  1
  Fe  Fe70  1  0.877652  0.000450  0.486720  1
  Fe  Fe71  1  0.300583  0.596298  0.496803  1
  Fe  Fe72  1  0.045584  0.027256  0.525881  1
  Fe  Fe73  1  0.074930  0.060722  0.477471  1
  Fe  Fe74  1  0.199090  0.867944  0.505751  1
  Fe  Fe75  1  0.231831  0.231316  0.523341  1
  Fe  Fe76  1  0.107671  0.424094  0.495061  1
  Fe  Fe77  1  0.261177  0.264783  0.474931  1
  Fe  Fe78  1  0.006178  0.695740  0.504009  1
  Fe  Fe79  1  0.429109  0.291589  0.514092  1
  Fe  Fe80  1  0.377652  0.000450  0.486720  1
  Fe  Fe81  1  0.915971  0.114751  0.559215  1
  Fe  Fe82  1  0.660925  0.545812  0.588298  1
  Fe  Fe83  1  0.690290  0.579233  0.539882  1
  Fe  Fe84  1  0.814419  0.386456  0.568142  1
  Fe  Fe85  1  0.847185  0.749973  0.585739  1
  Fe  Fe86  1  0.723078  0.942520  0.557474  1
  Fe  Fe87  1  0.876581  0.783327  0.537331  1
  Fe  Fe88  1  0.621487  0.214165  0.566397  1
  Fe  Fe89  1  0.044513  0.810210  0.576504  1
  Fe  Fe90  1  0.992998  0.518977  0.549114  1
  Fe  Fe91  1  0.415971  0.114751  0.559215  1
  Fe  Fe92  1  0.160925  0.545812  0.588298  1
  Fe  Fe93  1  0.190290  0.579233  0.539882  1
  Fe  Fe94  1  0.314419  0.386456  0.568142  1
  Fe  Fe95  1  0.347185  0.749973  0.585739  1
  Fe  Fe96  1  0.223078  0.942520  0.557474  1
  Fe  Fe97  1  0.376581  0.783327  0.537331  1
  Fe  Fe98  1  0.121487  0.214165  0.566397  1
  Fe  Fe99  1  0.544513  0.810210  0.576504  1
  Fe  Fe100  1  0.492998  0.518977  0.549114  1
  Fe  Fe101  1  0.031236  0.633862  0.621587  1
  Fe  Fe102  1  0.776373  0.064029  0.650730  1
  Fe  Fe103  1  0.805713  0.097801  0.602272  1
  Fe  Fe104  1  0.930210  0.905839  0.630611  1
  Fe  Fe105  1  0.962166  0.267990  0.648185  1
  Fe  Fe106  1  0.838457  0.461026  0.619847  1
  Fe  Fe107  1  0.991949  0.301955  0.599707  1
  Fe  Fe108  1  0.737055  0.732417  0.628778  1
  Fe  Fe109  1  0.159877  0.329267  0.638812  1
  Fe  Fe110  1  0.108380  0.037615  0.611540  1
  Fe  Fe111  1  0.531236  0.633862  0.621587  1
  Fe  Fe112  1  0.276373  0.064029  0.650730  1
  Fe  Fe113  1  0.305713  0.097801  0.602272  1
  Fe  Fe114  1  0.430210  0.905839  0.630611  1
  Fe  Fe115  1  0.462166  0.267990  0.648185  1
  Fe  Fe116  1  0.338457  0.461026  0.619847  1
  Fe  Fe117  1  0.491949  0.301955  0.599707  1
  Fe  Fe118  1  0.237055  0.732417  0.628778  1
  Fe  Fe119  1  0.659877  0.329267  0.638812  1
  Fe  Fe120  1  0.608380  0.037615  0.611540  1
  Fe  Fe121  1  0.147326  0.155507  0.683997  1
  Fe  Fe122  1  0.884734  0.578891  0.713947  1
  Fe  Fe123  1  0.921065  0.615912  0.664635  1
  Fe  Fe124  1  0.043173  0.422424  0.692809  1
  Fe  Fe125  1  0.073970  0.786484  0.710453  1
  Fe  Fe126  1  0.954578  0.977343  0.682160  1
  Fe  Fe127  1  0.107552  0.820271  0.661820  1
  Fe  Fe128  1  0.849295  0.251509  0.691448  1
  Fe  Fe129  1  0.272776  0.847753  0.700879  1
  Fe  Fe130  1  0.223394  0.555740  0.673890  1
  Fe  Fe131  1  0.647326  0.155507  0.683997  1
  Fe  Fe132  1  0.384734  0.578891  0.713947  1
  Fe  Fe133  1  0.421065  0.615912  0.664635  1
  Fe  Fe134  1  0.543173  0.422424  0.692809  1
  Fe  Fe135  1  0.573970  0.786484  0.710453  1
  Fe  Fe136  1  0.454578  0.977343  0.682160  1
  Fe  Fe137  1  0.607552  0.820271  0.661820  1
  Fe  Fe138  1  0.349295  0.251509  0.691448  1
  Fe  Fe139  1  0.772776  0.847753  0.700879  1
  Fe  Fe140  1  0.723394  0.555740  0.673890  1
  C  C141  1  0.120507  0.250768  0.282673  1
  C  C142  1  0.484510  0.477127  0.338522  1
  C  C143  1  0.495065  0.933634  0.344116  1
  C  C144  1  0.132862  0.702772  0.288100  1
  C  C145  1  0.620507  0.250768  0.282673  1
  C  C146  1  0.984510  0.477127  0.338522  1
  C  C147  1  0.995065  0.933634  0.344116  1
  C  C148  1  0.632862  0.702772  0.288100  1
  C  C149  1  0.235271  0.766291  0.344784  1
  C  C150  1  0.599796  0.995167  0.400942  1
  C  C151  1  0.610269  0.451932  0.406475  1
  C  C152  1  0.245124  0.221951  0.350201  1
  C  C153  1  0.735271  0.766291  0.344784  1
  C  C154  1  0.099796  0.995167  0.400942  1
  C  C155  1  0.110269  0.451932  0.406475  1
  C  C156  1  0.745124  0.221951  0.350201  1
  C  C157  1  0.350374  0.284415  0.407103  1
  C  C158  1  0.715177  0.513658  0.463318  1
  C  C159  1  0.725655  0.970491  0.468894  1
  C  C160  1  0.360881  0.741234  0.412702  1
  C  C161  1  0.850374  0.284415  0.407103  1
  C  C162  1  0.215177  0.513658  0.463318  1
  C  C163  1  0.225655  0.970491  0.468894  1
  C  C164  1  0.860881  0.741234  0.412702  1
  C  C165  1  0.465756  0.802994  0.469524  1
  C  C166  1  0.830556  0.032198  0.525728  1
  C  C167  1  0.841005  0.489044  0.531288  1
  C  C168  1  0.476205  0.259840  0.475084  1
  C  C169  1  0.965756  0.802994  0.469524  1
  C  C170  1  0.330556  0.032198  0.525728  1
  C  C171  1  0.341005  0.489044  0.531288  1
  C  C172  1  0.976205  0.259840  0.475084  1
  C  C173  1  0.581106  0.321548  0.531918  1
  C  C174  1  0.945880  0.550805  0.588110  1
  C  C175  1  0.956387  0.007623  0.593710  1
  C  C176  1  0.591584  0.778381  0.537494  1
  C  C177  1  0.081106  0.321548  0.531918  1
  C  C178  1  0.445880  0.550805  0.588110  1
  C  C179  1  0.456387  0.007623  0.593710  1
  C  C180  1  0.091584  0.778381  0.537494  1
  C  C181  1  0.696492  0.840107  0.594337  1
  C  C182  1  0.061637  0.070088  0.650611  1
  C  C183  1  0.071490  0.525747  0.656028  1
  C  C184  1  0.706965  0.296872  0.599870  1
  C  C185  1  0.196492  0.840107  0.594337  1
  C  C186  1  0.561637  0.070088  0.650611  1
  C  C187  1  0.571490  0.525747  0.656028  1
  C  C188  1  0.206965  0.296872  0.599870  1
  C  C189  1  0.811696  0.358404  0.656696  1
  C  C190  1  0.173899  0.589266  0.712712  1
  C  C191  1  0.186254  0.041271  0.718139  1
  C  C192  1  0.822251  0.814911  0.662290  1
  C  C193  1  0.311696  0.358404  0.656696  1
  C  C194  1  0.673899  0.589266  0.712712  1
  C  C195  1  0.686254  0.041271  0.718139  1
  C  C196  1  0.322251  0.814911  0.662290  1
