# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.70071319
_cell_length_b   4.69252973
_cell_length_c   48.93567279
_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   'Fe36 C12'
_cell_volume   1079.43463829
_cell_formula_units_Z   12
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  0.063850  0.180845  0.398774  1
  Fe  Fe2  1  0.911221  0.680731  0.354529  1
  Fe  Fe3  1  0.628355  0.400515  0.328886  1
  Fe  Fe4  1  0.122618  0.444815  0.304213  1
  Fe  Fe5  1  0.847813  0.706094  0.400164  1
  Fe  Fe6  1  0.130716  0.204872  0.353189  1
  Fe  Fe7  1  0.860101  0.950995  0.305130  1
  Fe  Fe8  1  0.413739  0.922639  0.327471  1
  Fe  Fe9  1  0.588331  0.459299  0.283433  1
  Fe  Fe10  1  0.367617  0.658011  0.376095  1
  Fe  Fe11  1  0.331048  0.925478  0.281626  1
  Fe  Fe12  1  0.612517  0.155668  0.376986  1
  Fe  Fe13  1  0.064336  0.180454  0.541828  1
  Fe  Fe14  1  0.913974  0.680854  0.497432  1
  Fe  Fe15  1  0.630403  0.399694  0.471632  1
  Fe  Fe16  1  0.110815  0.448814  0.447578  1
  Fe  Fe17  1  0.847467  0.705931  0.543170  1
  Fe  Fe18  1  0.130403  0.205896  0.496118  1
  Fe  Fe19  1  0.866860  0.949223  0.448614  1
  Fe  Fe20  1  0.413974  0.924736  0.470317  1
  Fe  Fe21  1  0.564336  0.425136  0.425922  1
  Fe  Fe22  1  0.366860  0.656367  0.519135  1
  Fe  Fe23  1  0.347467  0.899659  0.424579  1
  Fe  Fe24  1  0.610815  0.156776  0.520172  1
  Fe  Fe25  1  0.088331  0.146291  0.684317  1
  Fe  Fe26  1  0.913739  0.682951  0.640278  1
  Fe  Fe27  1  0.630716  0.400718  0.614561  1
  Fe  Fe28  1  0.112517  0.449922  0.590764  1
  Fe  Fe29  1  0.831048  0.680113  0.686124  1
  Fe  Fe30  1  0.128355  0.205075  0.638863  1
  Fe  Fe31  1  0.867617  0.947579  0.591655  1
  Fe  Fe32  1  0.411221  0.924859  0.613221  1
  Fe  Fe33  1  0.563850  0.424745  0.568976  1
  Fe  Fe34  1  0.360101  0.654595  0.662620  1
  Fe  Fe35  1  0.347813  0.899496  0.567585  1
  Fe  Fe36  1  0.622618  0.160775  0.663536  1
  C  C37  1  0.693454  0.083533  0.271578  1
  C  C38  1  0.207408  0.543861  0.410520  1
  C  C39  1  0.268069  0.561711  0.339143  1
  C  C40  1  0.771792  1.044018  0.342435  1
  C  C41  1  0.706800  0.061884  0.414133  1
  C  C42  1  0.206800  0.543706  0.553616  1
  C  C43  1  0.270839  0.561532  0.482057  1
  C  C44  1  0.770839  1.044058  0.485693  1
  C  C45  1  0.707408  0.061730  0.557230  1
  C  C46  1  0.193454  0.522057  0.696171  1
  C  C47  1  0.271792  0.561572  0.625315  1
  C  C48  1  0.768069  1.043879  0.628607  1
