# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99200000
_cell_length_b   7.04500000
_cell_length_c   5.36400000
_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   188.64458496
_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  0.97225000  0.25000000  0.20886000  1
  Fe  Fe1  1  0.02775000  0.75000000  0.79114000  1
  Fe  Fe2  1  0.52775000  0.75000000  0.70886000  1
  Fe  Fe3  1  0.47225000  0.25000000  0.29114000  1
  Fe  Fe4  1  0.76546000  0.44829000  0.59164000  1
  Fe  Fe5  1  0.23454000  0.55171000  0.40836000  1
  Fe  Fe6  1  0.73454000  0.55171000  0.09164000  1
  Fe  Fe7  1  0.26546000  0.44829000  0.90836000  1
  Fe  Fe8  1  0.23454000  0.94829000  0.40836000  1
  Fe  Fe9  1  0.76546000  0.05171000  0.59164000  1
  Fe  Fe10  1  0.26546000  0.05171000  0.90836000  1
  Fe  Fe11  1  0.73454000  0.94829000  0.09164000  1
  C  C12  1  0.66088000  0.25000000  0.91674000  1
  C  C13  1  0.33912000  0.75000000  0.08326000  1
  C  C14  1  0.83912000  0.75000000  0.41674000  1
  C  C15  1  0.16088000  0.25000000  0.58326000  1
