# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56701506
_cell_length_b   8.86024432
_cell_length_c   50.47302843
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.38874697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe80 C32'
_cell_volume   2036.39581623
_cell_formula_units_Z   16
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  0.636687  0.835779  0.375708  1
  Fe  Fe2  1  0.705226  0.275568  0.320688  1
  Fe  Fe3  1  0.523690  0.471820  0.343275  1
  Fe  Fe4  1  0.597968  0.895554  0.284631  1
  Fe  Fe5  1  0.302840  0.617694  0.373105  1
  Fe  Fe6  1  0.370291  0.054882  0.317912  1
  Fe  Fe7  1  0.784260  0.521524  0.385362  1
  Fe  Fe8  1  0.852103  0.961587  0.329761  1
  Fe  Fe9  1  0.374736  0.788369  0.332786  1
  Fe  Fe10  1  0.458827  0.217825  0.278028  1
  Fe  Fe11  1  0.148107  0.902674  0.366995  1
  Fe  Fe12  1  0.210396  0.341556  0.310694  1
  Fe  Fe13  1  0.890661  0.575169  0.306325  1
  Fe  Fe14  1  0.829657  0.140767  0.361173  1
  Fe  Fe15  1  0.012616  0.407235  0.351914  1
  Fe  Fe16  1  0.078145  0.829619  0.293659  1
  Fe  Fe17  1  0.861153  0.692935  0.345475  1
  Fe  Fe18  1  0.932361  0.124739  0.290227  1
  Fe  Fe19  1  0.405968  0.605482  0.302299  1
  Fe  Fe20  1  0.332248  0.169614  0.357830  1
  Fe  Fe21  1  0.495036  0.957803  0.486638  1
  Fe  Fe22  1  0.566236  0.397435  0.431136  1
  Fe  Fe23  1  0.382109  0.593251  0.454295  1
  Fe  Fe24  1  0.453545  0.033363  0.398960  1
  Fe  Fe25  1  0.159340  0.738678  0.484157  1
  Fe  Fe26  1  0.230351  0.178206  0.428687  1
  Fe  Fe27  1  0.641859  0.642928  0.496358  1
  Fe  Fe28  1  0.713471  0.082363  0.440881  1
  Fe  Fe29  1  0.235388  0.908204  0.444578  1
  Fe  Fe30  1  0.306874  0.347771  0.389126  1
  Fe  Fe31  1  0.007637  0.023545  0.478017  1
  Fe  Fe32  1  0.078610  0.463030  0.422514  1
  Fe  Fe33  1  0.758645  0.700881  0.416543  1
  Fe  Fe34  1  0.686772  0.261319  0.472132  1
  Fe  Fe35  1  0.869650  0.527672  0.462935  1
  Fe  Fe36  1  0.940750  0.966934  0.407350  1
  Fe  Fe37  1  0.717852  0.812290  0.456795  1
  Fe  Fe38  1  0.789093  0.251919  0.401345  1
  Fe  Fe39  1  0.261408  0.729299  0.413305  1
  Fe  Fe40  1  0.190234  0.289744  0.468840  1
  Fe  Fe41  1  0.352219  0.078295  0.597480  1
  Fe  Fe42  1  0.423655  0.518406  0.542145  1
  Fe  Fe43  1  0.239528  0.714223  0.565304  1
  Fe  Fe44  1  0.310728  0.153855  0.509802  1
  Fe  Fe45  1  0.016670  0.859739  0.595095  1
  Fe  Fe46  1  0.087911  0.299368  0.539644  1
  Fe  Fe47  1  0.498890  0.763887  0.607313  1
  Fe  Fe48  1  0.570375  0.203454  0.551862  1
  Fe  Fe49  1  0.092293  0.029295  0.555558  1
  Fe  Fe50  1  0.163904  0.468729  0.500081  1
  Fe  Fe51  1  0.865014  0.144724  0.589089  1
  Fe  Fe52  1  0.936113  0.583986  0.533504  1
  Fe  Fe53  1  0.615529  0.821914  0.527600  1
  Fe  Fe54  1  0.544356  0.382358  0.583135  1
  Fe  Fe55  1  0.727153  0.648628  0.573925  1
  Fe  Fe56  1  0.798127  0.088113  0.518422  1
  Fe  Fe57  1  0.575412  0.933452  0.567753  1
  Fe  Fe58  1  0.646423  0.372979  0.512282  1
  Fe  Fe59  1  0.118992  0.850339  0.524307  1
  Fe  Fe60  1  0.047119  0.410777  0.579897  1
  Fe  Fe61  1  0.207795  0.216104  0.711809  1
  Fe  Fe62  1  0.282074  0.639838  0.653165  1
  Fe  Fe63  1  0.100538  0.836089  0.675752  1
  Fe  Fe64  1  0.169077  0.275879  0.620732  1
  Fe  Fe65  1  0.873402  0.986919  0.706213  1
  Fe  Fe66  1  0.944611  0.418722  0.650964  1
  Fe  Fe67  1  0.346937  0.893833  0.718412  1
  Fe  Fe68  1  0.431027  0.323289  0.663654  1
  Fe  Fe69  1  0.953661  0.150071  0.666679  1
  Fe  Fe70  1  0.021504  0.590134  0.611077  1
  Fe  Fe71  1  0.727619  0.282039  0.702781  1
  Fe  Fe72  1  0.793148  0.704422  0.644526  1
  Fe  Fe73  1  0.473516  0.942044  0.638610  1
  Fe  Fe74  1  0.399795  0.506176  0.694140  1
  Fe  Fe75  1  0.595367  0.770102  0.685745  1
  Fe  Fe76  1  0.657657  0.208984  0.629445  1
  Fe  Fe77  1  0.435472  0.056775  0.678527  1
  Fe  Fe78  1  0.502924  0.493964  0.623335  1
  Fe  Fe79  1  0.976107  0.970890  0.635267  1
  Fe  Fe80  1  0.915103  0.536489  0.690115  1
  C  C81  1  0.969607  0.723450  0.383619  1
  C  C82  1  0.039394  0.163308  0.328186  1
  C  C83  1  0.722479  0.764955  0.312173  1
  C  C84  1  0.653027  0.326891  0.368174  1
  C  C85  1  0.577056  0.417942  0.295275  1
  C  C86  1  0.509808  0.983329  0.351203  1
  C  C87  1  0.193322  0.585680  0.335167  1
  C  C88  1  0.269342  0.017505  0.281411  1
  C  C89  1  0.826901  0.844987  0.494706  1
  C  C90  1  0.897940  0.284547  0.439231  1
  C  C91  1  0.581153  0.886686  0.423605  1
  C  C92  1  0.509581  0.447322  0.479091  1
  C  C93  1  0.438596  0.543305  0.406335  1
  C  C94  1  0.367712  0.103845  0.461856  1
  C  C95  1  0.050365  0.706136  0.446215  1
  C  C96  1  0.121546  0.145767  0.390749  1
  C  C97  1  0.684218  0.965891  0.605691  1
  C  C98  1  0.755399  0.405522  0.550224  1
  C  C99  1  0.438052  0.007813  0.534583  1
  C  C100  1  0.367168  0.568352  0.590105  1
  C  C101  1  0.296183  0.664335  0.517348  1
  C  C102  1  0.224611  0.224972  0.572834  1
  C  C103  1  0.907824  0.827111  0.557209  1
  C  C104  1  0.978862  0.266671  0.501734  1
  C  C105  1  0.536422  0.094153  0.715028  1
  C  C106  1  0.612441  0.525978  0.661273  1
  C  C107  1  0.295956  0.128329  0.645236  1
  C  C108  1  0.228707  0.693716  0.701164  1
  C  C109  1  0.152737  0.784767  0.628265  1
  C  C110  1  0.083285  0.346703  0.684266  1
  C  C111  1  0.766370  0.948350  0.668253  1
  C  C112  1  0.836156  0.388208  0.612821  1
