# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58054879
_cell_length_b   2.36759834
_cell_length_c   49.22279845
_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   'Fe14 C7'
_cell_volume   417.27649603
_cell_formula_units_Z   7
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  0.163057  0.500586  0.311365  1
  Fe  Fe2  1  0.663057  0.500586  0.334340  1
  Fe  Fe3  1  0.663057  0.500586  0.375501  1
  Fe  Fe4  1  0.163057  0.500586  0.396037  1
  Fe  Fe5  1  0.163057  0.500586  0.437676  1
  Fe  Fe6  1  0.663057  0.500586  0.458674  1
  Fe  Fe7  1  0.663057  0.500586  0.500218  1
  Fe  Fe8  1  0.163057  0.500586  0.521098  1
  Fe  Fe9  1  0.163057  0.500586  0.562639  1
  Fe  Fe10  1  0.663057  0.500586  0.583646  1
  Fe  Fe11  1  0.663057  0.500586  0.625302  1
  Fe  Fe12  1  0.163057  0.500586  0.645784  1
  Fe  Fe13  1  0.163057  0.500586  0.686895  1
  Fe  Fe14  1  0.663057  0.500586  0.710306  1
  C  C15  1  0.663057  0.500586  0.293479  1
  C  C16  1  0.163057  0.500586  0.354190  1
  C  C17  1  0.663057  0.500586  0.417012  1
  C  C18  1  0.163057  0.500586  0.479407  1
  C  C19  1  0.663057  0.500586  0.541910  1
  C  C20  1  0.163057  0.500586  0.604298  1
  C  C21  1  0.663057  0.500586  0.667170  1
