# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56887485
_cell_length_b   4.67690504
_cell_length_c   45.38386331
_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   'Fe32 C16'
_cell_volume   969.771187591
_cell_formula_units_Z   16
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  0.351426  0.725878  0.291644  1
  Fe  Fe2  1  0.648759  0.274413  0.291644  1
  Fe  Fe3  1  0.849927  0.772121  0.319164  1
  Fe  Fe4  1  0.150258  0.228171  0.319164  1
  Fe  Fe5  1  0.351443  0.725614  0.347083  1
  Fe  Fe6  1  0.648742  0.274677  0.347083  1
  Fe  Fe7  1  0.851014  0.773942  0.374840  1
  Fe  Fe8  1  0.149171  0.226349  0.374840  1
  Fe  Fe9  1  0.350858  0.726591  0.402593  1
  Fe  Fe10  1  0.649327  0.273701  0.402593  1
  Fe  Fe11  1  0.850988  0.773920  0.430385  1
  Fe  Fe12  1  0.149197  0.226371  0.430385  1
  Fe  Fe13  1  0.350952  0.726434  0.458161  1
  Fe  Fe14  1  0.649233  0.273857  0.458161  1
  Fe  Fe15  1  0.850950  0.773854  0.485938  1
  Fe  Fe16  1  0.149236  0.226438  0.485938  1
  Fe  Fe17  1  0.350950  0.726438  0.513718  1
  Fe  Fe18  1  0.649236  0.273854  0.513718  1
  Fe  Fe19  1  0.850952  0.773857  0.541495  1
  Fe  Fe20  1  0.149233  0.226434  0.541495  1
  Fe  Fe21  1  0.350988  0.726371  0.569270  1
  Fe  Fe22  1  0.649197  0.273920  0.569270  1
  Fe  Fe23  1  0.850858  0.773701  0.597063  1
  Fe  Fe24  1  0.149327  0.226591  0.597063  1
  Fe  Fe25  1  0.351014  0.726349  0.624816  1
  Fe  Fe26  1  0.649171  0.273942  0.624816  1
  Fe  Fe27  1  0.851443  0.774677  0.652573  1
  Fe  Fe28  1  0.148742  0.225614  0.652573  1
  Fe  Fe29  1  0.349927  0.728171  0.680492  1
  Fe  Fe30  1  0.650258  0.272121  0.680492  1
  Fe  Fe31  1  0.851426  0.774413  0.708012  1
  Fe  Fe32  1  0.148759  0.225878  0.708012  1
  C  C33  1  0.000093  0.500146  0.291246  1
  C  C34  1  0.500093  0.000146  0.319373  1
  C  C35  1  0.000093  0.500146  0.347067  1
  C  C36  1  0.500093  0.000146  0.374802  1
  C  C37  1  0.000093  0.500146  0.402613  1
  C  C38  1  0.500093  0.000146  0.430383  1
  C  C39  1  0.000093  0.500146  0.458159  1
  C  C40  1  0.500093  0.000146  0.485940  1
  C  C41  1  0.000093  0.500146  0.513716  1
  C  C42  1  0.500093  0.000146  0.541497  1
  C  C43  1  0.000093  0.500146  0.569273  1
  C  C44  1  0.500093  0.000146  0.597043  1
  C  C45  1  0.000093  0.500146  0.624854  1
  C  C46  1  0.500093  0.000146  0.652589  1
  C  C47  1  0.000093  0.500146  0.680283  1
  C  C48  1  0.500093  0.000146  0.708410  1
