# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83360111
_cell_length_b   7.91256965
_cell_length_c   48.34165776
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe72 C24'
_cell_volume   1848.8849742
_cell_formula_units_Z   24
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  0.179424  0.330839  0.332882  1
  Fe  Fe2  1  0.663649  0.785279  0.341106  1
  Fe  Fe3  1  0.312518  0.479845  0.292360  1
  Fe  Fe4  1  0.828489  0.945198  0.301346  1
  Fe  Fe5  1  0.663351  0.267946  0.305567  1
  Fe  Fe6  1  0.159138  0.165334  0.293927  1
  Fe  Fe7  1  0.800855  0.655494  0.295254  1
  Fe  Fe8  1  0.279122  0.783661  0.297982  1
  Fe  Fe9  1  0.340541  1.003423  0.331122  1
  Fe  Fe10  1  0.838693  0.108578  0.343367  1
  Fe  Fe11  1  0.179212  0.617366  0.340039  1
  Fe  Fe12  1  0.669132  0.501424  0.334454  1
  Fe  Fe13  1  0.179736  0.009139  0.408015  1
  Fe  Fe14  1  0.678102  0.470152  0.417870  1
  Fe  Fe15  1  0.316530  0.168003  0.370402  1
  Fe  Fe16  1  0.820589  0.627693  0.379702  1
  Fe  Fe17  1  0.659596  0.950053  0.381477  1
  Fe  Fe18  1  0.145358  0.847547  0.368357  1
  Fe  Fe19  1  0.841391  0.344794  0.370484  1
  Fe  Fe20  1  0.337349  0.453453  0.379769  1
  Fe  Fe21  1  0.332847  0.691608  0.407469  1
  Fe  Fe22  1  0.833921  0.791649  0.419240  1
  Fe  Fe23  1  0.159750  0.296343  0.417999  1
  Fe  Fe24  1  0.653115  0.187209  0.408111  1
  Fe  Fe25  1  0.179506  0.696263  0.484006  1
  Fe  Fe26  1  0.677688  0.154020  0.493095  1
  Fe  Fe27  1  0.315133  0.855262  0.446318  1
  Fe  Fe28  1  0.811305  0.310636  0.455389  1
  Fe  Fe29  1  0.660123  0.633503  0.456929  1
  Fe  Fe30  1  0.156698  0.532777  0.445162  1
  Fe  Fe31  1  0.834483  0.027164  0.445685  1
  Fe  Fe32  1  0.331717  0.138560  0.455737  1
  Fe  Fe33  1  0.331391  0.374767  0.482451  1
  Fe  Fe34  1  0.834097  0.474092  0.494683  1
  Fe  Fe35  1  0.157778  0.980286  0.493645  1
  Fe  Fe36  1  0.651750  0.869993  0.483763  1
  Fe  Fe37  1  0.179779  0.380970  0.559352  1
  Fe  Fe38  1  0.675932  0.836374  0.568415  1
  Fe  Fe39  1  0.313412  0.537625  0.521637  1
  Fe  Fe40  1  0.811587  0.995343  0.530735  1
  Fe  Fe41  1  0.659650  0.316869  0.532285  1
  Fe  Fe42  1  0.156947  0.217521  0.520055  1
  Fe  Fe43  1  0.833265  0.711334  0.521094  1
  Fe  Fe44  1  0.339275  0.821641  0.530973  1
  Fe  Fe45  1  0.330911  0.058127  0.557806  1
  Fe  Fe46  1  0.834338  0.158838  0.569576  1
  Fe  Fe47  1  0.156562  0.664455  0.569055  1
  Fe  Fe48  1  0.659322  0.553064  0.558998  1
  Fe  Fe49  1  0.170442  0.063927  0.635035  1
  Fe  Fe50  1  0.674575  0.523643  0.644329  1
  Fe  Fe51  1  0.312942  0.221480  0.596864  1
  Fe  Fe52  1  0.811364  0.682461  0.606726  1
  Fe  Fe53  1  0.658177  1.000018  0.607267  1
  Fe  Fe54  1  0.157123  0.899963  0.595499  1
  Fe  Fe55  1  0.831283  0.395281  0.596740  1
  Fe  Fe56  1  0.337907  0.504421  0.606625  1
  Fe  Fe57  1  0.331443  0.741581  0.633258  1
  Fe  Fe58  1  0.845656  0.844073  0.646379  1
  Fe  Fe59  1  0.149634  0.346820  0.644254  1
  Fe  Fe60  1  0.653662  0.238172  0.634967  1
  Fe  Fe61  1  0.162534  0.746431  0.713390  1
  Fe  Fe62  1  0.678515  0.211781  0.722376  1
  Fe  Fe63  1  0.327373  0.906344  0.673630  1
  Fe  Fe64  1  0.811653  0.360772  0.681858  1
  Fe  Fe65  1  0.650479  0.688201  0.683614  1
  Fe  Fe66  1  0.152351  0.583038  0.671372  1
  Fe  Fe67  1  0.811838  0.074263  0.674695  1
  Fe  Fe68  1  0.321909  0.190212  0.680282  1
  Fe  Fe69  1  0.327685  0.423681  0.709166  1
  Fe  Fe70  1  0.831884  0.526292  0.720809  1
  Fe  Fe71  1  0.190170  0.036119  0.719483  1
  Fe  Fe72  1  0.711880  0.907968  0.716753  1
  C  C73  1  0.551176  0.276420  0.343705  1
  C  C74  1  0.036505  0.835937  0.330127  1
  C  C75  1  0.945310  0.439136  0.306104  1
  C  C76  1  0.450938  1.000494  0.292905  1
  C  C77  1  0.551951  0.963072  0.419725  1
  C  C78  1  0.051156  0.520098  0.406867  1
  C  C79  1  0.943525  0.120147  0.381697  1
  C  C80  1  0.445861  0.678533  0.369399  1
  C  C81  1  0.551717  0.645235  0.495160  1
  C  C82  1  0.050247  0.202870  0.481798  1
  C  C83  1  0.942603  0.804549  0.457445  1
  C  C84  1  0.439025  0.361790  0.444213  1
  C  C85  1  0.551904  0.329834  0.570524  1
  C  C86  1  0.048342  0.887087  0.557287  1
  C  C87  1  0.940648  0.488762  0.532937  1
  C  C88  1  0.439179  0.046381  0.519580  1
  C  C89  1  0.545153  0.013090  0.645338  1
  C  C90  1  0.047384  0.571482  0.633035  1
  C  C91  1  0.939833  0.171526  0.607870  1
  C  C92  1  0.438955  0.728551  0.595013  1
  C  C93  1  0.540081  0.691132  0.721832  1
  C  C94  1  0.045670  0.252503  0.708630  1
  C  C95  1  0.954510  0.855689  0.684609  1
  C  C96  1  0.439735  0.415188  0.671038  1
