# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.30233262
_cell_length_b   5.75096813
_cell_length_c   48.03866107
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.51125898
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe100 C40'
_cell_volume   2714.31349754
_cell_formula_units_Z   20
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  0.694673  0.840249  0.369730  1
  Fe  Fe2  1  0.279446  0.713613  0.328974  1
  Fe  Fe3  1  0.337493  0.361763  0.337591  1
  Fe  Fe4  1  0.919359  0.239655  0.295683  1
  Fe  Fe5  1  0.387621  0.043611  0.358550  1
  Fe  Fe6  1  0.971902  0.914501  0.316092  1
  Fe  Fe7  1  0.725922  0.922036  0.315350  1
  Fe  Fe8  1  0.142672  0.037536  0.356179  1
  Fe  Fe9  1  0.480286  0.044707  0.309624  1
  Fe  Fe10  1  0.891929  0.167029  0.351902  1
  Fe  Fe11  1  0.513479  0.739710  0.336358  1
  Fe  Fe12  1  0.099467  0.627013  0.293892  1
  Fe  Fe13  1  0.700675  0.515065  0.325632  1
  Fe  Fe14  1  0.114931  0.641487  0.366645  1
  Fe  Fe15  1  0.519143  0.464057  0.371377  1
  Fe  Fe16  1  0.103974  0.341190  0.329988  1
  Fe  Fe17  1  0.644387  0.162573  0.349975  1
  Fe  Fe18  1  0.230872  0.044623  0.307128  1
  Fe  Fe19  1  0.499306  0.439706  0.299398  1
  Fe  Fe20  1  0.917993  0.563409  0.340884  1
  Fe  Fe21  1  0.521743  0.091286  0.453307  1
  Fe  Fe22  1  0.108056  0.965204  0.411576  1
  Fe  Fe23  1  0.165729  0.615448  0.421326  1
  Fe  Fe24  1  0.752928  0.492715  0.379630  1
  Fe  Fe25  1  0.214840  0.295543  0.442113  1
  Fe  Fe26  1  0.801534  0.170900  0.400415  1
  Fe  Fe27  1  0.556893  0.162618  0.397804  1
  Fe  Fe28  1  0.970828  0.287232  0.439406  1
  Fe  Fe29  1  0.303676  0.292538  0.393465  1
  Fe  Fe30  1  0.716644  0.418612  0.435126  1
  Fe  Fe31  1  0.341000  0.991237  0.419761  1
  Fe  Fe32  1  0.926202  0.865978  0.377816  1
  Fe  Fe33  1  0.527938  0.767421  0.408656  1
  Fe  Fe34  1  0.941541  0.892643  0.450263  1
  Fe  Fe35  1  0.346116  0.715063  0.454890  1
  Fe  Fe36  1  0.932478  0.589666  0.413202  1
  Fe  Fe37  1  0.472475  0.410482  0.432510  1
  Fe  Fe38  1  0.059114  0.285663  0.390768  1
  Fe  Fe39  1  0.332214  0.688300  0.382600  1
  Fe  Fe40  1  0.745788  0.813571  0.424277  1
  Fe  Fe41  1  0.348753  0.342354  0.536783  1
  Fe  Fe42  1  0.935284  0.217016  0.495042  1
  Fe  Fe43  1  0.992609  0.866255  0.504795  1
  Fe  Fe44  1  0.579140  0.740916  0.463054  1
  Fe  Fe45  1  0.042038  0.547205  0.525607  1
  Fe  Fe46  1  0.628445  0.421657  0.483870  1
  Fe  Fe47  1  0.384122  0.413599  0.481226  1
  Fe  Fe48  1  0.797570  0.539460  0.522934  1
  Fe  Fe49  1  0.130322  0.543810  0.476903  1
  Fe  Fe50  1  0.543770  0.669672  0.518611  1
  Fe  Fe51  1  0.168146  0.242396  0.503233  1
  Fe  Fe52  1  0.754852  0.117221  0.461473  1
  Fe  Fe53  1  0.354941  0.018436  0.492095  1
  Fe  Fe54  1  0.768524  0.144271  0.533806  1
  Fe  Fe55  1  0.173041  0.966049  0.538364  1
  Fe  Fe56  1  0.759746  0.840874  0.496604  1
  Fe  Fe57  1  0.299448  0.661613  0.515967  1
  Fe  Fe58  1  0.885855  0.536065  0.474230  1
  Fe  Fe59  1  0.159368  0.938999  0.466031  1
  Fe  Fe60  1  0.572952  0.064835  0.507742  1
  Fe  Fe61  1  0.174965  0.590556  0.620207  1
  Fe  Fe62  1  0.762163  0.467822  0.578511  1
  Fe  Fe63  1  0.819836  0.118066  0.588261  1
  Fe  Fe64  1  0.406150  0.991985  0.546530  1
  Fe  Fe65  1  0.868779  0.797608  0.609069  1
  Fe  Fe66  1  0.455417  0.672788  0.567327  1
  Fe  Fe67  1  0.211249  0.664658  0.564711  1
  Fe  Fe68  1  0.624217  0.790733  0.606372  1
  Fe  Fe69  1  0.957065  0.796038  0.560431  1
  Fe  Fe70  1  0.370999  0.920653  0.602033  1
  Fe  Fe71  1  0.995414  0.493605  0.586634  1
  Fe  Fe72  1  0.581777  0.368207  0.544946  1
  Fe  Fe73  1  0.182105  0.269699  0.575560  1
  Fe  Fe74  1  0.595679  0.394970  0.617237  1
  Fe  Fe75  1  0.001691  0.217293  0.622021  1
  Fe  Fe76  1  0.586893  0.092034  0.580075  1
  Fe  Fe77  1  0.126358  0.912370  0.599422  1
  Fe  Fe78  1  0.713053  0.787727  0.557724  1
  Fe  Fe79  1  0.986352  0.190627  0.549574  1
  Fe  Fe80  1  0.399955  0.315849  0.591181  1
  Fe  Fe81  1  0.008534  0.843616  0.704154  1
  Fe  Fe82  1  0.590400  0.721508  0.662246  1
  Fe  Fe83  1  0.648447  0.369657  0.670863  1
  Fe  Fe84  1  0.233219  0.243021  0.630107  1
  Fe  Fe85  1  0.697020  0.038648  0.692709  1
  Fe  Fe86  1  0.283505  0.920697  0.649862  1
  Fe  Fe87  1  0.035964  0.916242  0.647935  1
  Fe  Fe88  1  0.447607  0.038564  0.690213  1
  Fe  Fe89  1  0.785221  0.045735  0.643658  1
  Fe  Fe90  1  0.201970  0.161235  0.684487  1
  Fe  Fe91  1  0.823918  0.742080  0.669849  1
  Fe  Fe92  1  0.408749  0.619214  0.628460  1
  Fe  Fe93  1  0.009899  0.519862  0.658953  1
  Fe  Fe94  1  0.428586  0.643564  0.700439  1
  Fe  Fe95  1  0.828425  0.456258  0.705945  1
  Fe  Fe96  1  0.414413  0.343561  0.663479  1
  Fe  Fe97  1  0.955990  0.168770  0.683745  1
  Fe  Fe98  1  0.540272  0.039660  0.641287  1
  Fe  Fe99  1  0.812961  0.441783  0.633191  1
  Fe  Fe100  1  0.227218  0.568205  0.674205  1
  C  C101  1  0.520036  0.895696  0.371930  1
  C  C102  1  0.105510  0.772220  0.330096  1
  C  C103  1  0.789303  0.265440  0.323257  1
  C  C104  1  0.204785  0.393354  0.364283  1
  C  C105  1  0.413076  0.692251  0.302020  1
  C  C106  1  0.828443  0.812000  0.343125  1
  C  C107  1  0.512954  0.309063  0.335754  1
  C  C108  1  0.094614  0.185878  0.294326  1
  C  C109  1  0.347031  0.146589  0.455362  1
  C  C110  1  0.933290  0.020328  0.413516  1
  C  C111  1  0.617683  0.519445  0.405948  1
  C  C112  1  0.031355  0.644640  0.447729  1
  C  C113  1  0.242534  0.936481  0.385178  1
  C  C114  1  0.656112  0.061684  0.426926  1
  C  C115  1  0.340332  0.559697  0.419300  1
  C  C116  1  0.927084  0.435227  0.377571  1
  C  C117  1  0.174072  0.397779  0.538828  1
  C  C118  1  0.760597  0.272433  0.497074  1
  C  C119  1  0.444815  0.770600  0.489441  1
  C  C120  1  0.858326  0.896320  0.531171  1
  C  C121  1  0.069567  0.186950  0.468666  1
  C  C122  1  0.483078  0.312671  0.510396  1
  C  C123  1  0.167296  0.810838  0.502763  1
  C  C124  1  0.753820  0.685492  0.461009  1
  C  C125  1  0.000808  0.648043  0.622266  1
  C  C126  1  0.587560  0.523573  0.580537  1
  C  C127  1  0.271780  0.021586  0.572911  1
  C  C128  1  0.685359  0.146789  0.614659  1
  C  C129  1  0.896538  0.438631  0.552108  1
  C  C130  1  0.310209  0.563826  0.593889  1
  C  C131  1  0.994602  0.062943  0.586321  1
  C  C132  1  0.580862  0.936682  0.544475  1
  C  C133  1  0.833278  0.897393  0.705511  1
  C  C134  1  0.414938  0.774208  0.664083  1
  C  C135  1  0.099450  0.271270  0.656712  1
  C  C136  1  0.514816  0.391020  0.697817  1
  C  C137  1  0.723107  0.689916  0.635554  1
  C  C138  1  0.138590  0.817830  0.676580  1
  C  C139  1  0.822383  0.311050  0.669741  1
  C  C140  1  0.407857  0.187575  0.627907  1
