# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66193104
_cell_length_b   4.66193830
_cell_length_c   4.31826627
_cell_angle_alpha   89.99997549
_cell_angle_beta   89.99996220
_cell_angle_gamma   119.99842086
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe6 C2'
_cell_volume   81.27918252
_cell_formula_units_Z   2
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  -0.00000412  0.68382568  0.49999675  1.0
  Fe  Fe1  1  1.00000161  0.31616645  1.00000085  1.0
  Fe  Fe2  1  0.68384343  0.68384559  -0.00000431  1.0
  Fe  Fe3  1  0.68383060  -0.00000490  0.50000417  1.0
  Fe  Fe4  1  0.31616483  0.31616401  0.49999915  1.0
  Fe  Fe5  1  0.31616615  1.00000372  1.00000356  1.0
  C  C6  1  0.66666399  0.33333359  0.75001020  1.0
  C  C7  1  0.33333351  0.66666586  0.24998964  1.0