# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75003404
_cell_length_b   6.61733994
_cell_length_c   48.76080742
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.51942740
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe70 C28'
_cell_volume   1811.22994856
_cell_formula_units_Z   14
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  0.663446  0.788605  0.287909  1
  Fe  Fe2  1  0.108079  0.029363  0.340115  1
  Fe  Fe3  1  0.735233  0.825380  0.337253  1
  Fe  Fe4  1  0.802307  0.187093  0.319714  1
  Fe  Fe5  1  0.979923  0.631978  0.309096  1
  Fe  Fe6  1  0.591466  0.461402  0.310355  1
  Fe  Fe7  1  0.439243  0.056538  0.300927  1
  Fe  Fe8  1  0.187888  0.364722  0.317934  1
  Fe  Fe9  1  0.041581  0.995937  0.291472  1
  Fe  Fe10  1  0.340000  0.766030  0.328058  1
  Fe  Fe11  1  0.445900  0.274161  0.351090  1
  Fe  Fe12  1  0.876136  0.511300  0.402193  1
  Fe  Fe13  1  0.503809  0.307541  0.399573  1
  Fe  Fe14  1  0.569459  0.670807  0.381999  1
  Fe  Fe15  1  0.753309  0.115553  0.371259  1
  Fe  Fe16  1  0.366999  0.942497  0.373031  1
  Fe  Fe17  1  0.212720  0.538213  0.362989  1
  Fe  Fe18  1  0.955090  0.843336  0.380325  1
  Fe  Fe19  1  0.817369  0.477785  0.353683  1
  Fe  Fe20  1  0.109228  0.248181  0.390378  1
  Fe  Fe21  1  0.214306  0.756240  0.413489  1
  Fe  Fe22  1  0.644688  0.992923  0.464539  1
  Fe  Fe23  1  0.272244  0.789245  0.461932  1
  Fe  Fe24  1  0.337984  0.152560  0.444342  1
  Fe  Fe25  1  0.520999  0.596413  0.433701  1
  Fe  Fe26  1  0.135043  0.424505  0.435383  1
  Fe  Fe27  1  0.981262  0.019425  0.425265  1
  Fe  Fe28  1  0.723877  0.324432  0.442666  1
  Fe  Fe29  1  0.586699  0.960007  0.416107  1
  Fe  Fe30  1  0.877760  0.729795  0.452777  1
  Fe  Fe31  1  0.982941  0.237956  0.475881  1
  Fe  Fe32  1  0.413165  0.474643  0.526910  1
  Fe  Fe33  1  0.040822  0.271001  0.524317  1
  Fe  Fe34  1  0.106462  0.634426  0.506729  1
  Fe  Fe35  1  0.289644  0.078173  0.496063  1
  Fe  Fe36  1  0.903717  0.906353  0.497742  1
  Fe  Fe37  1  0.749745  0.501062  0.487649  1
  Fe  Fe38  1  0.492389  0.806246  0.505050  1
  Fe  Fe39  1  0.355285  0.441598  0.478475  1
  Fe  Fe40  1  0.646362  0.211537  0.515143  1
  Fe  Fe41  1  0.751419  0.719676  0.538253  1
  Fe  Fe42  1  0.181801  0.956359  0.589303  1
  Fe  Fe43  1  0.809407  0.752592  0.586685  1
  Fe  Fe44  1  0.875108  0.116186  0.569090  1
  Fe  Fe45  1  0.058123  0.560039  0.558450  1
  Fe  Fe46  1  0.672230  0.388167  0.560125  1
  Fe  Fe47  1  0.518347  0.982804  0.550015  1
  Fe  Fe48  1  0.261064  0.288094  0.567409  1
  Fe  Fe49  1  0.123863  0.923355  0.540860  1
  Fe  Fe50  1  0.414845  0.693174  0.577527  1
  Fe  Fe51  1  0.519970  0.201299  0.600599  1
  Fe  Fe52  1  0.950207  0.438438  0.651702  1
  Fe  Fe53  1  0.578738  0.234814  0.649109  1
  Fe  Fe54  1  0.642798  0.597046  0.631533  1
  Fe  Fe55  1  0.826648  0.041792  0.620793  1
  Fe  Fe56  1  0.441017  0.869263  0.622466  1
  Fe  Fe57  1  0.286879  0.464418  0.612414  1
  Fe  Fe58  1  0.029108  0.770102  0.629760  1
  Fe  Fe59  1  0.892298  0.405058  0.603219  1
  Fe  Fe60  1  0.183387  0.174386  0.639803  1
  Fe  Fe61  1  0.288028  0.683236  0.662676  1
  Fe  Fe62  1  0.732661  0.923995  0.714883  1
  Fe  Fe63  1  0.354526  0.716662  0.711319  1
  Fe  Fe64  1  0.416183  0.080621  0.693696  1
  Fe  Fe65  1  0.593800  0.525506  0.683077  1
  Fe  Fe66  1  0.208219  0.347877  0.684858  1
  Fe  Fe67  1  0.056107  0.946569  0.674734  1
  Fe  Fe68  1  0.804641  0.251197  0.692437  1
  Fe  Fe69  1  0.660874  0.887219  0.665539  1
  Fe  Fe70  1  0.956864  0.656061  0.701865  1
  C  C71  1  0.516596  0.568318  0.345135  1
  C  C72  1  0.241375  0.798295  0.289219  1
  C  C73  1  0.537799  0.024913  0.339551  1
  C  C74  1  0.265766  0.250303  0.283788  1
  C  C75  1  0.285453  0.050320  0.407462  1
  C  C76  1  0.016120  0.279354  0.351287  1
  C  C77  1  0.306497  0.507129  0.401948  1
  C  C78  1  0.035989  0.735058  0.345896  1
  C  C79  1  0.053985  0.532032  0.469857  1
  C  C80  1  0.783898  0.760313  0.413765  1
  C  C81  1  0.075013  0.988908  0.464293  1
  C  C82  1  0.805000  0.217182  0.408176  1
  C  C83  1  0.822580  0.013742  0.532221  1
  C  C84  1  0.552556  0.241965  0.476116  1
  C  C85  1  0.843551  0.470634  0.526675  1
  C  C86  1  0.573527  0.698857  0.470570  1
  C  C87  1  0.591107  0.495417  0.594616  1
  C  C88  1  0.321094  0.723691  0.538498  1
  C  C89  1  0.612209  0.952286  0.589027  1
  C  C90  1  0.342122  0.180567  0.532935  1
  C  C91  1  0.360118  0.977541  0.656895  1
  C  C92  1  0.089610  0.205470  0.600844  1
  C  C93  1  0.379987  0.433245  0.651505  1
  C  C94  1  0.110653  0.662279  0.595329  1
  C  C95  1  0.130340  0.462296  0.719003  1
  C  C96  1  0.858308  0.687686  0.663241  1
  C  C97  1  0.154731  0.914304  0.713572  1
  C  C98  1  0.879511  0.144281  0.657657  1
