# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79524821
_cell_length_b   7.81182308
_cell_length_c   47.56936404
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.86501313
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe70 C28'
_cell_volume   1696.00950596
_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  0.862877  0.377038  0.296414  1
  Fe  Fe2  1  0.170678  0.658851  0.312703  1
  Fe  Fe3  1  0.351143  0.951913  0.325958  1
  Fe  Fe4  1  0.247205  0.172679  0.292280  1
  Fe  Fe5  1  0.810204  0.860081  0.318558  1
  Fe  Fe6  1  0.919470  0.152368  0.331519  1
  Fe  Fe7  1  0.442881  0.403190  0.322477  1
  Fe  Fe8  1  0.134814  0.871009  0.278287  1
  Fe  Fe9  1  0.704369  0.077818  0.283834  1
  Fe  Fe10  1  0.604539  0.625800  0.288226  1
  Fe  Fe11  1  0.658338  0.932232  0.364658  1
  Fe  Fe12  1  0.953410  0.216774  0.379404  1
  Fe  Fe13  1  0.131764  0.509814  0.392532  1
  Fe  Fe14  1  0.024746  0.730526  0.359250  1
  Fe  Fe15  1  0.588282  0.418510  0.384609  1
  Fe  Fe16  1  0.698736  0.711204  0.398091  1
  Fe  Fe17  1  0.223980  0.964128  0.388690  1
  Fe  Fe18  1  0.915004  0.436113  0.345126  1
  Fe  Fe19  1  0.479088  0.639055  0.351554  1
  Fe  Fe20  1  0.388804  0.184952  0.355216  1
  Fe  Fe21  1  0.437948  0.490077  0.431225  1
  Fe  Fe22  1  0.731912  0.774744  0.445852  1
  Fe  Fe23  1  0.911369  0.067749  0.459154  1
  Fe  Fe24  1  0.804060  0.288855  0.425870  1
  Fe  Fe25  1  0.366108  0.976143  0.451181  1
  Fe  Fe26  1  0.478600  0.269076  0.464574  1
  Fe  Fe27  1  0.003193  0.521918  0.455177  1
  Fe  Fe28  1  0.691539  -0.004095  0.412446  1
  Fe  Fe29  1  0.259191  0.197071  0.417969  1
  Fe  Fe30  1  0.166730  0.743033  0.421895  1
  Fe  Fe31  1  0.217008  0.047892  0.497803  1
  Fe  Fe32  1  0.510803  0.332619  0.512381  1
  Fe  Fe33  1  0.690212  0.625544  0.525697  1
  Fe  Fe34  1  0.583034  0.846632  0.492437  1
  Fe  Fe35  1  0.144776  0.533879  0.517748  1
  Fe  Fe36  1  0.257575  0.826845  0.531133  1
  Fe  Fe37  1  0.782127  0.079716  0.521738  1
  Fe  Fe38  1  0.470235  0.553666  0.479052  1
  Fe  Fe39  1  0.037599  0.754967  0.484488  1
  Fe  Fe40  1  0.945684  0.300795  0.488446  1
  Fe  Fe41  1  0.995898  0.605767  0.564333  1
  Fe  Fe42  1  0.289862  0.890435  0.578959  1
  Fe  Fe43  1  0.468620  0.183440  0.592216  1
  Fe  Fe44  1  0.361703  0.404369  0.559004  1
  Fe  Fe45  1  0.923751  0.091657  0.584314  1
  Fe  Fe46  1  0.036272  0.384607  0.597739  1
  Fe  Fe47  1  0.561080  0.637479  0.588289  1
  Fe  Fe48  1  0.249211  0.111436  0.545611  1
  Fe  Fe49  1  0.816442  0.312763  0.551030  1
  Fe  Fe50  1  0.724617  0.858594  0.555008  1
  Fe  Fe51  1  0.774400  0.163738  0.630781  1
  Fe  Fe52  1  0.069473  0.448280  0.645527  1
  Fe  Fe53  1  0.248723  0.741456  0.658631  1
  Fe  Fe54  1  0.139529  0.962002  0.625575  1
  Fe  Fe55  1  0.703065  0.649985  0.650935  1
  Fe  Fe56  1  0.812806  0.944398  0.665058  1
  Fe  Fe57  1  0.339006  0.195560  0.654969  1
  Fe  Fe58  1  0.029074  0.669308  0.612093  1
  Fe  Fe59  1  0.596046  0.870698  0.617652  1
  Fe  Fe60  1  0.503831  0.416384  0.621494  1
  Fe  Fe61  1  0.557133  0.721660  0.697481  1
  Fe  Fe62  1  0.864934  0.003474  0.713770  1
  Fe  Fe63  1  0.023442  0.302694  0.726351  1
  Fe  Fe64  1  0.917606  0.520431  0.691626  1
  Fe  Fe65  1  0.480606  0.207832  0.717905  1
  Fe  Fe66  1  0.592997  0.509502  0.731898  1
  Fe  Fe67  1  0.123272  0.754712  0.721958  1
  Fe  Fe68  1  0.808341  0.228144  0.678666  1
  Fe  Fe69  1  0.376668  0.428599  0.684226  1
  Fe  Fe70  1  0.284929  0.977322  0.687708  1
  C  C71  1  0.573022  0.195783  0.317087  1
  C  C72  1  0.778065  0.613512  0.326483  1
  C  C73  1  0.263524  0.418116  0.285409  1
  C  C74  1  0.483192  0.836097  0.293872  1
  C  C75  1  0.350791  0.754892  0.384095  1
  C  C76  1  0.560664  0.173201  0.393058  1
  C  C77  1  0.051395  0.976068  0.351054  1
  C  C78  1  0.260947  0.393755  0.359925  1
  C  C79  1  0.130360  0.312745  0.450657  1
  C  C80  1  0.339627  0.731024  0.459655  1
  C  C81  1  0.830260  0.533959  0.417414  1
  C  C82  1  0.039471  0.952157  0.426434  1
  C  C83  1  0.909336  0.870554  0.517224  1
  C  C84  1  0.118600  0.288799  0.526217  1
  C  C85  1  0.609210  0.091713  0.483968  1
  C  C86  1  0.818475  0.509957  0.492960  1
  C  C87  1  0.688340  0.428354  0.583750  1
  C  C88  1  0.897550  0.846553  0.592770  1
  C  C89  1  0.388184  0.649488  0.550529  1
  C  C90  1  0.597450  0.067767  0.559528  1
  C  C91  1  0.466863  0.986756  0.650260  1
  C  C92  1  0.676415  0.404443  0.659131  1
  C  C93  1  0.167147  0.207310  0.617127  1
  C  C94  1  0.377019  0.625619  0.626090  1
  C  C95  1  0.244619  0.544414  0.716312  1
  C  C96  1  0.464287  0.962396  0.724776  1
  C  C97  1  0.949745  0.766999  0.683701  1
  C  C98  1  0.154789  0.184729  0.693097  1
