# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55907782
_cell_length_b   3.55907782
_cell_length_c   47.34979161
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe18 C9'
_cell_volume   519.425983244
_cell_formula_units_Z   9
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  0.332411  0.666051  0.301131  1
  Fe  Fe2  1  0.665744  0.332718  0.301131  1
  Fe  Fe3  1  0.332411  0.666051  0.350285  1
  Fe  Fe4  1  0.665744  0.332718  0.350285  1
  Fe  Fe5  1  0.332411  0.666051  0.400685  1
  Fe  Fe6  1  0.665744  0.332718  0.400685  1
  Fe  Fe7  1  0.332411  0.666051  0.450546  1
  Fe  Fe8  1  0.665744  0.332718  0.450546  1
  Fe  Fe9  1  0.332411  0.666051  0.500609  1
  Fe  Fe10  1  0.665744  0.332718  0.500609  1
  Fe  Fe11  1  0.332411  0.666051  0.550672  1
  Fe  Fe12  1  0.665744  0.332718  0.550672  1
  Fe  Fe13  1  0.332411  0.666051  0.600533  1
  Fe  Fe14  1  0.665744  0.332718  0.600533  1
  Fe  Fe15  1  0.332411  0.666051  0.650932  1
  Fe  Fe16  1  0.665744  0.332718  0.650932  1
  Fe  Fe17  1  0.332411  0.666051  0.700087  1
  Fe  Fe18  1  0.665744  0.332718  0.700087  1
  C  C19  1  -0.000923  -0.000615  0.299904  1
  C  C20  1  -0.000923  -0.000615  0.350853  1
  C  C21  1  -0.000923  -0.000615  0.400438  1
  C  C22  1  -0.000923  -0.000615  0.450638  1
  C  C23  1  -0.000923  -0.000615  0.500609  1
  C  C24  1  -0.000923  -0.000615  0.550580  1
  C  C25  1  0.999077  0.999385  0.600780  1
  C  C26  1  -0.000923  -0.000615  0.650365  1
  C  C27  1  -0.000923  -0.000615  0.701314  1
