# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78561589
_cell_length_b   4.56646969
_cell_length_c   51.77365034
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe40 C16'
_cell_volume   1131.42873284
_cell_formula_units_Z   8
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  0.428139  0.463129  0.325237  1
  Fe  Fe2  1  0.924605  0.022794  0.388488  1
  Fe  Fe3  1  0.609118  0.719360  0.364733  1
  Fe  Fe4  1  0.110673  0.769585  0.350392  1
  Fe  Fe5  1  0.890660  0.269585  0.350392  1
  Fe  Fe6  1  0.392214  0.219360  0.364733  1
  Fe  Fe7  1  0.573194  0.963129  0.325237  1
  Fe  Fe8  1  0.076727  0.522794  0.388488  1
  Fe  Fe9  1  0.972896  0.331306  0.308012  1
  Fe  Fe10  1  0.028437  0.831306  0.308012  1
  Fe  Fe11  1  0.925087  0.292175  0.426423  1
  Fe  Fe12  1  0.425005  0.848275  0.488242  1
  Fe  Fe13  1  0.110305  0.545330  0.464519  1
  Fe  Fe14  1  0.610346  0.595198  0.450149  1
  Fe  Fe15  1  0.390987  0.095198  0.450149  1
  Fe  Fe16  1  0.891028  0.045330  0.464519  1
  Fe  Fe17  1  0.076246  0.792175  0.426423  1
  Fe  Fe18  1  0.576328  0.348275  0.488242  1
  Fe  Fe19  1  0.474419  0.157769  0.407476  1
  Fe  Fe20  1  0.526914  0.657769  0.407476  1
  Fe  Fe21  1  0.425012  0.116623  0.526133  1
  Fe  Fe22  1  0.925326  0.673025  0.587973  1
  Fe  Fe23  1  0.610484  0.369806  0.564224  1
  Fe  Fe24  1  0.110294  0.419587  0.549858  1
  Fe  Fe25  1  0.891039  0.919587  0.549858  1
  Fe  Fe26  1  0.390849  0.869806  0.564224  1
  Fe  Fe27  1  0.576321  0.616623  0.526133  1
  Fe  Fe28  1  0.076007  0.173025  0.587973  1
  Fe  Fe29  1  0.974705  0.982455  0.507187  1
  Fe  Fe30  1  0.026628  0.482455  0.507187  1
  Fe  Fe31  1  0.923387  0.943652  0.625988  1
  Fe  Fe32  1  0.418705  0.487550  0.690715  1
  Fe  Fe33  1  0.108349  0.192046  0.664582  1
  Fe  Fe34  1  0.608806  0.245715  0.649577  1
  Fe  Fe35  1  0.392527  0.745715  0.649577  1
  Fe  Fe36  1  0.892984  0.692046  0.664582  1
  Fe  Fe37  1  0.077946  0.443652  0.625988  1
  Fe  Fe38  1  0.582628  0.987550  0.690715  1
  Fe  Fe39  1  0.474543  0.807025  0.606904  1
  Fe  Fe40  1  0.526790  0.307025  0.606904  1
  C  C41  1  0.705770  0.371495  0.383653  1
  C  C42  1  0.206893  0.119350  0.331730  1
  C  C43  1  0.794440  0.619350  0.331730  1
  C  C44  1  0.295563  0.871495  0.383653  1
  C  C45  1  0.205619  0.196510  0.483351  1
  C  C46  1  0.705570  0.944033  0.431314  1
  C  C47  1  0.295763  0.444033  0.431314  1
  C  C48  1  0.795714  0.696510  0.483351  1
  C  C49  1  0.705475  0.020892  0.583057  1
  C  C50  1  0.205613  0.768395  0.531023  1
  C  C51  1  0.795720  0.268395  0.531023  1
  C  C52  1  0.295857  0.520892  0.583057  1
  C  C53  1  0.218732  0.838974  0.682013  1
  C  C54  1  0.706422  0.593608  0.630706  1
  C  C55  1  0.294911  0.093608  0.630706  1
  C  C56  1  0.782601  0.338974  0.682013  1
