# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04730023
_cell_length_b   7.04132907
_cell_length_c   4.65716427
_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   165.51422955
_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  0.34729400  0.16863600  0.42247800  1
  Fe  Fe1  1  0.15270600  0.66863600  0.07752200  1
  Fe  Fe2  1  0.84729400  0.33136400  0.92247800  1
  Fe  Fe3  1  0.33966400  0.45020900  0.75000000  1
  Fe  Fe4  1  0.15270600  0.66863600  0.42247800  1
  Fe  Fe5  1  0.34729400  0.16863600  0.07752200  1
  Fe  Fe6  1  0.16033600  0.95020900  0.75000000  1
  Fe  Fe7  1  0.65270600  0.83136400  0.92247800  1
  Fe  Fe8  1  0.84729400  0.33136400  0.57752200  1
  Fe  Fe9  1  0.66033600  0.54979100  0.25000000  1
  Fe  Fe10  1  0.65270600  0.83136400  0.57752200  1
  Fe  Fe11  1  0.83966400  0.04979100  0.25000000  1
  C  C12  1  0.00000000  0.00000000  0.50000000  1
  C  C13  1  0.50000000  0.50000000  0.50000000  1
  C  C14  1  0.50000000  0.50000000  0.00000000  1
  C  C15  1  0.00000000  0.00000000  0.00000000  1
