# generated using pymatgen
data_Fe4C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.00829050
_cell_length_b   2.65281461
_cell_length_c   6.34751652
_cell_angle_alpha   90.00000000
_cell_angle_beta   101.18845532
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4C
_chemical_formula_sum   'Fe8 C2'
_cell_volume   99.24945594
_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  0.10450200  0.75000000  0.17986400  1
  Fe  Fe1  1  0.89549800  0.25000000  0.82013600  1
  Fe  Fe2  1  0.82704500  0.75000000  0.46519100  1
  Fe  Fe3  1  0.17295500  0.25000000  0.53480900  1
  Fe  Fe4  1  0.31606500  0.25000000  0.93573300  1
  Fe  Fe5  1  0.68393500  0.75000000  0.06426700  1
  Fe  Fe6  1  0.47760700  0.25000000  0.31720900  1
  Fe  Fe7  1  0.52239300  0.75000000  0.68279100  1
  C  C8  1  0.87685500  0.25000000  0.24664300  1
  C  C9  1  0.12314500  0.75000000  0.75335700  1
