# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75600000
_cell_length_b   6.80900000
_cell_length_c   4.66900000
_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   182.99026808
_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  0.49288000  0.25000000  0.59728000  1
  Fe  Fe1  1  0.50712000  0.75000000  0.40272000  1
  Fe  Fe2  1  0.00712000  0.75000000  0.09728000  1
  Fe  Fe3  1  0.99288000  0.25000000  0.90272000  1
  Fe  Fe4  1  0.31724000  0.45142000  0.14924000  1
  Fe  Fe5  1  0.68276000  0.54858000  0.85076000  1
  Fe  Fe6  1  0.18276000  0.54858000  0.64924000  1
  Fe  Fe7  1  0.81724000  0.45142000  0.35076000  1
  Fe  Fe8  1  0.68276000  0.95142000  0.85076000  1
  Fe  Fe9  1  0.31724000  0.04858000  0.14924000  1
  Fe  Fe10  1  0.81724000  0.04858000  0.35076000  1
  Fe  Fe11  1  0.18276000  0.95142000  0.64924000  1
  C  C12  1  0.11107000  0.25000000  0.43577000  1
  C  C13  1  0.88893000  0.75000000  0.56423000  1
  C  C14  1  0.38893000  0.75000000  0.93577000  1
  C  C15  1  0.61107000  0.25000000  0.06423000  1
