# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30850360
_cell_length_b   6.30850360
_cell_length_c   6.30850360
_cell_angle_alpha   96.43572815
_cell_angle_beta   96.43572815
_cell_angle_gamma   140.87969045
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe12 C4'
_cell_volume   149.26549071
_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  0.50000000  0.85609000  0.35609000  1.0
  Fe  Fe1  1  0.50000000  0.14391000  0.64391000  1.0
  Fe  Fe2  1  0.14391000  0.50000000  0.64391000  1.0
  Fe  Fe3  1  0.85609000  0.50000000  0.35609000  1.0
  Fe  Fe4  1  0.99357000  0.99357000  0.39149800  1.0
  Fe  Fe5  1  0.60207200  0.60207200  0.60850200  1.0
  Fe  Fe6  1  0.00643000  0.39792800  0.00000000  1.0
  Fe  Fe7  1  0.39792800  0.00643000  0.00000000  1.0
  Fe  Fe8  1  0.16323300  0.16323300  0.80377200  1.0
  Fe  Fe9  1  0.35946000  0.35946000  0.19622800  1.0
  Fe  Fe10  1  0.83676700  0.64054000  0.00000000  1.0
  Fe  Fe11  1  0.64054000  0.83676700  0.00000000  1.0
  C  C12  1  0.71000100  0.00000000  0.71000100  1.0
  C  C13  1  0.28999900  0.00000000  0.28999900  1.0
  C  C14  1  0.00000000  0.71000100  0.71000100  1.0
  C  C15  1  0.00000000  0.28999900  0.28999900  1.0