# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54000000
_cell_length_b   7.15100000
_cell_length_c   5.24300000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe12 C4'
_cell_volume   207.70951922
_cell_formula_units_Z   4
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  Fe0  1  0.65506000  0.42348000  0.63976000  1
  Fe  Fe1  1  0.34494000  0.57652000  0.36024000  1
  Fe  Fe2  1  0.84494000  0.57652000  0.13976000  1
  Fe  Fe3  1  0.15506000  0.42348000  0.86024000  1
  Fe  Fe4  1  0.34494000  0.92348000  0.36024000  1
  Fe  Fe5  1  0.65506000  0.07652000  0.63976000  1
  Fe  Fe6  1  0.15506000  0.07652000  0.86024000  1
  Fe  Fe7  1  0.84494000  0.92348000  0.13976000  1
  Fe  Fe8  1  0.02738000  0.25000000  0.25639000  1
  Fe  Fe9  1  0.97262000  0.75000000  0.74361000  1
  Fe  Fe10  1  0.47262000  0.75000000  0.75639000  1
  Fe  Fe11  1  0.52738000  0.25000000  0.24361000  1
  C  C12  1  0.00000000  0.00000000  0.50000000  1
  C  C13  1  0.50000000  0.00000000  0.00000000  1
  C  C14  1  0.00000000  0.50000000  0.50000000  1
  C  C15  1  0.50000000  0.50000000  0.00000000  1
