# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57017725
_cell_length_b   5.31188188
_cell_length_c   48.81341275
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe40 C20'
_cell_volume   1185.00620872
_cell_formula_units_Z   20
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  0.351235  0.213524  0.305852  1
  Fe  Fe2  1  0.647818  0.864206  0.285528  1
  Fe  Fe3  1  0.852082  0.364206  0.285528  1
  Fe  Fe4  1  0.148666  0.713524  0.305852  1
  Fe  Fe5  1  0.350173  0.988760  0.351173  1
  Fe  Fe6  1  0.649812  0.637219  0.330381  1
  Fe  Fe7  1  0.850088  0.137219  0.330381  1
  Fe  Fe8  1  0.149727  0.488760  0.351173  1
  Fe  Fe9  1  0.351017  0.763504  0.396675  1
  Fe  Fe10  1  0.648776  0.413397  0.376193  1
  Fe  Fe11  1  0.851124  0.913397  0.376193  1
  Fe  Fe12  1  0.148883  0.263504  0.396675  1
  Fe  Fe13  1  0.350717  0.538460  0.442120  1
  Fe  Fe14  1  0.649276  0.187744  0.421502  1
  Fe  Fe15  1  0.850624  0.687744  0.421502  1
  Fe  Fe16  1  0.149184  0.038460  0.442120  1
  Fe  Fe17  1  0.350785  0.313436  0.487596  1
  Fe  Fe18  1  0.649081  0.962920  0.467022  1
  Fe  Fe19  1  0.850819  0.462920  0.467022  1
  Fe  Fe20  1  0.149115  0.813436  0.487596  1
  Fe  Fe21  1  0.350819  0.088296  0.533033  1
  Fe  Fe22  1  0.649115  0.737781  0.512460  1
  Fe  Fe23  1  0.850785  0.237781  0.512460  1
  Fe  Fe24  1  0.149081  0.588296  0.533033  1
  Fe  Fe25  1  0.350624  0.863473  0.578554  1
  Fe  Fe26  1  0.649184  0.512756  0.557936  1
  Fe  Fe27  1  0.850717  0.012756  0.557936  1
  Fe  Fe28  1  0.149276  0.363473  0.578554  1
  Fe  Fe29  1  0.351124  0.637820  0.623862  1
  Fe  Fe30  1  0.648883  0.287713  0.603381  1
  Fe  Fe31  1  0.851017  0.787713  0.603381  1
  Fe  Fe32  1  0.148776  0.137820  0.623862  1
  Fe  Fe33  1  0.350088  0.413998  0.669675  1
  Fe  Fe34  1  0.649727  0.062457  0.648883  1
  Fe  Fe35  1  0.850173  0.562457  0.648883  1
  Fe  Fe36  1  0.149812  0.913998  0.669675  1
  Fe  Fe37  1  0.352082  0.187011  0.714527  1
  Fe  Fe38  1  0.648666  0.837692  0.694203  1
  Fe  Fe39  1  0.851235  0.337692  0.694203  1
  Fe  Fe40  1  0.147818  0.687011  0.714527  1
  C  C41  1  0.001397  0.038114  0.295262  1
  C  C42  1  0.498503  0.538114  0.295262  1
  C  C43  1  0.999080  0.813288  0.340997  1
  C  C44  1  0.500821  0.313288  0.340997  1
  C  C45  1  0.000291  0.588305  0.386340  1
  C  C46  1  0.499609  0.088305  0.386340  1
  C  C47  1  0.999828  0.363175  0.431849  1
  C  C48  1  0.500073  0.863175  0.431849  1
  C  C49  1  0.000015  0.138145  0.477290  1
  C  C50  1  0.499886  0.638145  0.477290  1
  C  C51  1  0.999886  0.913071  0.522766  1
  C  C52  1  0.500015  0.413071  0.522766  1
  C  C53  1  0.000073  0.688042  0.568207  1
  C  C54  1  0.499828  0.188042  0.568207  1
  C  C55  1  0.999609  0.462912  0.613716  1
  C  C56  1  0.500291  0.962912  0.613716  1
  C  C57  1  0.000821  0.237929  0.659058  1
  C  C58  1  0.499080  0.737929  0.659058  1
  C  C59  1  0.998503  0.013103  0.704794  1
  C  C60  1  0.501397  0.513103  0.704794  1
