# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73572814
_cell_length_b   6.61705473
_cell_length_c   48.39306579
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.47458894
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe70 C28'
_cell_volume   1697.19404902
_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  0.332022  0.640271  0.316629  1
  Fe  Fe2  1  0.883893  0.037733  0.282617  1
  Fe  Fe3  1  0.554803  0.021115  0.310598  1
  Fe  Fe4  1  0.592779  0.390207  0.329078  1
  Fe  Fe5  1  0.630208  0.284237  0.271382  1
  Fe  Fe6  1  0.280600  0.303097  0.293747  1
  Fe  Fe7  1  0.077998  0.724022  0.281404  1
  Fe  Fe8  1  0.931118  0.371151  0.306509  1
  Fe  Fe9  1  0.659533  0.651921  0.289299  1
  Fe  Fe10  1  0.144950  0.954625  0.318480  1
  Fe  Fe11  1  0.464360  0.162421  0.383267  1
  Fe  Fe12  1  0.015026  0.555872  0.349794  1
  Fe  Fe13  1  0.690019  0.546156  0.377144  1
  Fe  Fe14  1  0.725638  0.910813  0.395865  1
  Fe  Fe15  1  0.753834  0.808065  0.337280  1
  Fe  Fe16  1  0.416572  0.828454  0.359928  1
  Fe  Fe17  1  0.200834  0.244393  0.347724  1
  Fe  Fe18  1  0.062471  0.889964  0.373036  1
  Fe  Fe19  1  0.790794  0.171384  0.355821  1
  Fe  Fe20  1  0.277427  0.473060  0.385325  1
  Fe  Fe21  1  0.596427  0.682694  0.449941  1
  Fe  Fe22  1  0.147091  0.076911  0.416511  1
  Fe  Fe23  1  0.821348  0.066864  0.443803  1
  Fe  Fe24  1  0.857403  0.431097  0.462590  1
  Fe  Fe25  1  0.886140  0.328481  0.403875  1
  Fe  Fe26  1  0.548972  0.349181  0.426700  1
  Fe  Fe27  1  0.334134  0.765665  0.414546  1
  Fe  Fe28  1  0.194696  0.410312  0.439762  1
  Fe  Fe29  1  0.922529  0.692455  0.422657  1
  Fe  Fe30  1  0.409523  0.993803  0.451929  1
  Fe  Fe31  1  0.728161  0.202947  0.516657  1
  Fe  Fe32  1  0.278890  0.597034  0.483254  1
  Fe  Fe33  1  0.952887  0.587231  0.510526  1
  Fe  Fe34  1  0.989036  0.951292  0.529312  1
  Fe  Fe35  1  0.018014  0.848688  0.470599  1
  Fe  Fe36  1  0.680561  0.869408  0.493420  1
  Fe  Fe37  1  0.465849  0.285879  0.481269  1
  Fe  Fe38  1  0.326489  0.930572  0.506491  1
  Fe  Fe39  1  0.054164  0.212750  0.489385  1
  Fe  Fe40  1  0.541202  0.514101  0.518642  1
  Fe  Fe41  1  0.859959  0.723069  0.583400  1
  Fe  Fe42  1  0.410623  0.117286  0.549970  1
  Fe  Fe43  1  0.084522  0.107525  0.577254  1
  Fe  Fe44  1  0.120910  0.471499  0.596036  1
  Fe  Fe45  1  0.149648  0.368883  0.537321  1
  Fe  Fe46  1  0.812354  0.389669  0.560149  1
  Fe  Fe47  1  0.597528  0.806177  0.547982  1
  Fe  Fe48  1  0.458078  0.450799  0.573211  1
  Fe  Fe49  1  0.185702  0.733116  0.556108  1
  Fe  Fe50  1  0.672917  0.034315  0.585365  1
  Fe  Fe51  1  0.992024  0.244108  0.650118  1
  Fe  Fe52  1  0.542691  0.637559  0.616644  1
  Fe  Fe53  1  0.216256  0.628596  0.644090  1
  Fe  Fe54  1  0.253216  0.991915  0.662632  1
  Fe  Fe55  1  0.281412  0.889167  0.604046  1
  Fe  Fe56  1  0.944580  0.910016  0.626875  1
  Fe  Fe57  1  0.729623  0.326920  0.614586  1
  Fe  Fe58  1  0.590478  0.971526  0.639983  1
  Fe  Fe59  1  0.317031  0.253824  0.622767  1
  Fe  Fe60  1  0.806216  0.555587  0.652187  1
  Fe  Fe61  1  0.123157  0.762247  0.717294  1
  Fe  Fe62  1  0.675028  0.159709  0.683282  1
  Fe  Fe63  1  0.347517  0.148059  0.710612  1
  Fe  Fe64  1  0.376843  0.515743  0.728529  1
  Fe  Fe65  1  0.414271  0.409773  0.670833  1
  Fe  Fe66  1  0.075933  0.428829  0.693402  1
  Fe  Fe67  1  0.862100  0.845355  0.681431  1
  Fe  Fe68  1  0.726450  0.496883  0.706164  1
  Fe  Fe69  1  0.452247  0.778865  0.689313  1
  Fe  Fe70  1  0.929052  0.075958  0.718507  1
  C  C71  1  0.307313  0.576712  0.277732  1
  C  C72  1  0.902741  0.642751  0.316063  1
  C  C73  1  0.316163  0.035665  0.283585  1
  C  C74  1  0.908964  0.095973  0.321675  1
  C  C75  1  0.434868  0.101206  0.344313  1
  C  C76  1  0.032331  0.160687  0.382724  1
  C  C77  1  0.447514  0.557667  0.350430  1
  C  C78  1  0.044852  0.617692  0.388741  1
  C  C79  1  0.567081  0.621533  0.410980  1
  C  C80  1  0.164390  0.680954  0.449463  1
  C  C81  1  0.579402  0.078541  0.417021  1
  C  C82  1  0.176579  0.137949  0.455478  1
  C  C83  1  0.698822  0.141782  0.477695  1
  C  C84  1  0.296050  0.201177  0.516183  1
  C  C85  1  0.711001  0.598803  0.483728  1
  C  C86  1  0.308228  0.658198  0.522216  1
  C  C87  1  0.830472  0.662031  0.544433  1
  C  C88  1  0.427648  0.721439  0.582890  1
  C  C89  1  0.842661  0.119026  0.550448  1
  C  C90  1  0.439969  0.178447  0.588932  1
  C  C91  1  0.962198  0.182288  0.611170  1
  C  C92  1  0.559537  0.242314  0.649481  1
  C  C93  1  0.974719  0.639294  0.617187  1
  C  C94  1  0.572182  0.698774  0.655598  1
  C  C95  1  0.098086  0.704008  0.678236  1
  C  C96  1  0.690887  0.764315  0.716326  1
  C  C97  1  0.104310  0.157229  0.683848  1
  C  C98  1  0.699737  0.223268  0.722179  1
