# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61855518
_cell_length_b   11.78244312
_cell_length_c   46.63312623
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.00215601
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe140 C56'
_cell_volume   3616.64355163
_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  0.125080  0.766117  0.285816  1
  Fe  Fe2  1  0.374284  0.338193  0.316563  1
  Fe  Fe3  1  0.626697  0.006248  0.303833  1
  Fe  Fe4  1  0.872238  0.569912  0.336384  1
  Fe  Fe5  1  0.793393  0.682887  0.298503  1
  Fe  Fe6  1  0.045103  0.246178  0.330395  1
  Fe  Fe7  1  0.429168  0.647926  0.282759  1
  Fe  Fe8  1  0.690708  0.209197  0.313364  1
  Fe  Fe9  1  0.307358  0.134233  0.310253  1
  Fe  Fe10  1  0.558583  0.697087  0.341042  1
  Fe  Fe11  1  0.451560  0.823095  0.308540  1
  Fe  Fe12  1  0.701115  0.384885  0.339108  1
  Fe  Fe13  1  0.977698  0.923687  0.312961  1
  Fe  Fe14  1  0.723870  0.360670  0.282401  1
  Fe  Fe15  1  0.285554  0.957970  0.282948  1
  Fe  Fe16  1  0.543912  0.520511  0.315229  1
  Fe  Fe17  1  0.969962  0.103183  0.291462  1
  Fe  Fe18  1  0.195418  0.659827  0.323855  1
  Fe  Fe19  1  0.265297  0.980735  0.340612  1
  Fe  Fe20  1  0.013398  0.420295  0.309552  1
  Fe  Fe21  1  0.621141  0.902626  0.348933  1
  Fe  Fe22  1  0.874018  0.469011  0.379810  1
  Fe  Fe23  1  0.125828  0.135445  0.367634  1
  Fe  Fe24  1  0.376402  0.701903  0.399062  1
  Fe  Fe25  1  0.294806  0.812342  0.361254  1
  Fe  Fe26  1  0.547922  0.378488  0.392654  1
  Fe  Fe27  1  0.938930  0.775735  0.344408  1
  Fe  Fe28  1  0.188537  0.341282  0.375318  1
  Fe  Fe29  1  0.810791  0.261640  0.371988  1
  Fe  Fe30  1  0.061705  0.828829  0.403502  1
  Fe  Fe31  1  0.951277  0.950408  0.370561  1
  Fe  Fe32  1  0.202327  0.515740  0.401500  1
  Fe  Fe33  1  0.484283  0.055999  0.375135  1
  Fe  Fe34  1  0.233634  0.490223  0.344522  1
  Fe  Fe35  1  0.796299  0.085399  0.345987  1
  Fe  Fe36  1  0.047654  0.653939  0.377243  1
  Fe  Fe37  1  0.452975  0.223721  0.354319  1
  Fe  Fe38  1  0.700765  0.792422  0.386099  1
  Fe  Fe39  1  0.767369  0.114151  0.403243  1
  Fe  Fe40  1  0.515976  0.547245  0.371890  1
  Fe  Fe41  1  0.126847  0.035296  0.411137  1
  Fe  Fe42  1  0.377834  0.601549  0.442364  1
  Fe  Fe43  1  0.626832  0.268174  0.430049  1
  Fe  Fe44  1  0.878196  0.834263  0.461562  1
  Fe  Fe45  1  0.801124  0.944813  0.424322  1
  Fe  Fe46  1  0.051460  0.511389  0.455361  1
  Fe  Fe47  1  0.439574  0.908447  0.406755  1
  Fe  Fe48  1  0.691391  0.474553  0.437818  1
  Fe  Fe49  1  0.312811  0.394968  0.434632  1
  Fe  Fe50  1  0.564301  0.961675  0.466043  1
  Fe  Fe51  1  0.454009  0.083086  0.432808  1
  Fe  Fe52  1  0.705018  0.648681  0.464043  1
  Fe  Fe53  1  0.985879  0.189169  0.438037  1
  Fe  Fe54  1  0.734619  0.622733  0.406829  1
  Fe  Fe55  1  0.299566  0.220476  0.408339  1
  Fe  Fe56  1  0.550818  0.787354  0.439794  1
  Fe  Fe57  1  0.953050  0.358224  0.417087  1
  Fe  Fe58  1  0.204074  0.925098  0.448472  1
  Fe  Fe59  1  0.269839  0.247121  0.465703  1
  Fe  Fe60  1  0.018864  0.680480  0.434534  1
  Fe  Fe61  1  0.628831  0.168275  0.473636  1
  Fe  Fe62  1  0.880239  0.734378  0.504976  1
  Fe  Fe63  1  0.129283  0.400985  0.492648  1
  Fe  Fe64  1  0.380691  0.967089  0.523988  1
  Fe  Fe65  1  0.303014  0.077634  0.486653  1
  Fe  Fe66  1  0.553844  0.644317  0.517936  1
  Fe  Fe67  1  0.943004  0.040988  0.469109  1
  Fe  Fe68  1  0.194220  0.607491  0.500398  1
  Fe  Fe69  1  0.815302  0.527872  0.497227  1
  Fe  Fe70  1  0.066518  0.094375  0.528516  1
  Fe  Fe71  1  0.956223  0.215498  0.495302  1
  Fe  Fe72  1  0.207610  0.781736  0.526632  1
  Fe  Fe73  1  0.488429  0.321990  0.500515  1
  Fe  Fe74  1  0.237094  0.755499  0.469389  1
  Fe  Fe75  1  0.801912  0.353627  0.470993  1
  Fe  Fe76  1  0.053299  0.919865  0.502323  1
  Fe  Fe77  1  0.455678  0.491046  0.479688  1
  Fe  Fe78  1  0.706508  0.057729  0.510972  1
  Fe  Fe79  1  0.772428  0.379864  0.528236  1
  Fe  Fe80  1  0.521093  0.813373  0.497110  1
  Fe  Fe81  1  0.131326  0.301100  0.536063  1
  Fe  Fe82  1  0.382690  0.867190  0.567576  1
  Fe  Fe83  1  0.631688  0.533814  0.555261  1
  Fe  Fe84  1  0.882675  0.100067  0.586488  1
  Fe  Fe85  1  0.805448  0.210266  0.549153  1
  Fe  Fe86  1  0.056472  0.777139  0.580537  1
  Fe  Fe87  1  0.445221  0.173689  0.531581  1
  Fe  Fe88  1  0.696711  0.740395  0.562992  1
  Fe  Fe89  1  0.318131  0.660811  0.559807  1
  Fe  Fe90  1  0.569948  0.226916  0.590870  1
  Fe  Fe91  1  0.458704  0.348010  0.557831  1
  Fe  Fe92  1  0.709956  0.914888  0.589286  1
  Fe  Fe93  1  0.990658  0.454883  0.563091  1
  Fe  Fe94  1  0.739683  0.888243  0.531922  1
  Fe  Fe95  1  0.304504  0.486682  0.533582  1
  Fe  Fe96  1  0.555513  0.052277  0.564817  1
  Fe  Fe97  1  0.958062  0.623974  0.542264  1
  Fe  Fe98  1  0.208398  0.190551  0.573303  1
  Fe  Fe99  1  0.274903  0.512630  0.590796  1
  Fe  Fe100  1  0.023643  0.946194  0.559588  1
  Fe  Fe101  1  0.633120  0.433461  0.598563  1
  Fe  Fe102  1  0.883694  0.999918  0.629991  1
  Fe  Fe103  1  0.135504  0.666353  0.617815  1
  Fe  Fe104  1  0.388381  0.232738  0.648692  1
  Fe  Fe105  1  0.308757  0.342941  0.611526  1
  Fe  Fe106  1  0.556547  0.911642  0.643306  1
  Fe  Fe107  1  0.947817  0.306534  0.594123  1
  Fe  Fe108  1  0.198731  0.873723  0.625636  1
  Fe  Fe109  1  0.820985  0.794082  0.622307  1
  Fe  Fe110  1  0.070592  0.359629  0.653217  1
  Fe  Fe111  1  0.961868  0.481424  0.620381  1
  Fe  Fe112  1  0.213223  0.049965  0.651637  1
  Fe  Fe113  1  0.493546  0.588118  0.625735  1
  Fe  Fe114  1  0.242153  0.021213  0.594381  1
  Fe  Fe115  1  0.807195  0.619623  0.596125  1
  Fe  Fe116  1  0.058245  0.184955  0.627064  1
  Fe  Fe117  1  0.461600  0.756875  0.604970  1
  Fe  Fe118  1  0.714716  0.323021  0.636371  1
  Fe  Fe119  1  0.775888  0.645140  0.653102  1
  Fe  Fe120  1  0.525239  0.079364  0.622490  1
  Fe  Fe121  1  0.137284  0.565451  0.661241  1
  Fe  Fe122  1  0.382825  0.129116  0.693792  1
  Fe  Fe123  1  0.635238  0.797170  0.681062  1
  Fe  Fe124  1  0.884442  0.369247  0.711808  1
  Fe  Fe125  1  0.814104  0.475537  0.673770  1
  Fe  Fe126  1  0.039560  0.032180  0.706163  1
  Fe  Fe127  1  0.450939  0.438277  0.656583  1
  Fe  Fe128  1  0.702164  1.001130  0.687372  1
  Fe  Fe129  1  0.318814  0.926166  0.684261  1
  Fe  Fe130  1  0.580354  0.487437  0.714865  1
  Fe  Fe131  1  0.465610  0.614853  0.682395  1
  Fe  Fe132  1  0.723968  0.177393  0.714676  1
  Fe  Fe133  1  0.996124  0.715068  0.688073  1
  Fe  Fe134  1  0.744225  0.154628  0.657013  1
  Fe  Fe135  1  0.308407  0.750478  0.658517  1
  Fe  Fe136  1  0.557962  0.312268  0.689085  1
  Fe  Fe137  1  0.964419  0.889186  0.667230  1
  Fe  Fe138  1  0.216129  0.452476  0.699121  1
  Fe  Fe139  1  0.285652  0.774693  0.715223  1
  Fe  Fe140  1  0.031824  0.211676  0.684664  1
  C  C141  1  0.182106  0.826873  0.323570  1
  C  C142  1  0.932499  0.266597  0.292975  1
  C  C143  1  0.517165  0.088175  0.334855  1
  C  C144  1  0.264916  0.525505  0.304388  1
  C  C145  1  0.731461  0.816965  0.318744  1
  C  C146  1  0.482854  0.246919  0.287323  1
  C  C147  1  0.061575  0.077638  0.329820  1
  C  C148  1  0.807417  0.514960  0.298332  1
  C  C149  1  0.686531  0.959491  0.386795  1
  C  C150  1  0.434495  0.390929  0.354964  1
  C  C151  1  0.019063  0.222669  0.397838  1
  C  C152  1  0.767518  0.657395  0.366686  1
  C  C153  1  0.232015  0.947817  0.380848  1
  C  C154  1  0.981632  0.382471  0.349537  1
  C  C155  1  0.564277  0.210989  0.392121  1
  C  C156  1  0.312893  0.644745  0.361174  1
  C  C157  1  0.189442  0.092476  0.449063  1
  C  C158  1  0.937889  0.525672  0.417749  1
  C  C159  1  0.521746  0.355740  0.460328  1
  C  C160  1  0.270484  0.789631  0.429226  1
  C  C161  1  0.734140  0.080457  0.443431  1
  C  C162  1  0.482634  0.513792  0.412093  1
  C  C163  1  0.066338  0.343923  0.454718  1
  C  C164  1  0.815467  0.777442  0.423609  1
  C  C165  1  0.691787  0.225210  0.511572  1
  C  C166  1  0.440617  0.658596  0.480301  1
  C  C167  1  0.024331  0.488693  0.522913  1
  C  C168  1  0.773016  0.922225  0.491751  1
  C  C169  1  0.236506  0.213139  0.505874  1
  C  C170  1  0.985191  0.646671  0.474712  1
  C  C171  1  0.568905  0.476767  0.517324  1
  C  C172  1  0.317735  0.910153  0.486053  1
  C  C173  1  0.194055  0.357921  0.574016  1
  C  C174  1  0.943184  0.791440  0.542907  1
  C  C175  1  0.526888  0.621571  0.585531  1
  C  C176  1  0.275382  0.054906  0.554194  1
  C  C177  1  0.739038  0.345732  0.568398  1
  C  C178  1  0.487776  0.779623  0.537297  1
  C  C179  1  0.071633  0.609692  0.579876  1
  C  C180  1  0.820080  0.042887  0.548562  1
  C  C181  1  0.696629  0.490618  0.636451  1
  C  C182  1  0.445245  0.924375  0.605504  1
  C  C183  1  0.027890  0.752893  0.648088  1
  C  C184  1  0.777507  0.187546  0.616777  1
  C  C185  1  0.242004  0.477968  0.630938  1
  C  C186  1  0.990459  0.912694  0.599787  1
  C  C187  1  0.575027  0.744434  0.642660  1
  C  C188  1  0.322991  0.175872  0.610830  1
  C  C189  1  0.202105  0.620404  0.699292  1
  C  C190  1  0.947947  0.057726  0.667805  1
  C  C191  1  0.526668  0.888445  0.710301  1
  C  C192  1  0.278061  0.318399  0.678881  1
  C  C193  1  0.744606  0.609859  0.693237  1
  C  C194  1  0.492357  0.047189  0.662770  1
  C  C195  1  0.077023  0.868767  0.704650  1
  C  C196  1  0.827416  0.308490  0.674054  1
