# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.24318813
_cell_length_b   2.24318813
_cell_length_c   46.96582748
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe9
_cell_volume   236.327018097
_cell_formula_units_Z   9
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  Fe1  1  0.498727  0.498727  0.309807  1
  Fe  Fe2  1  0.498727  0.498727  0.357319  1
  Fe  Fe3  1  0.498727  0.498727  0.404955  1
  Fe  Fe4  1  0.498727  0.498727  0.452590  1
  Fe  Fe5  1  0.498727  0.498727  0.500225  1
  Fe  Fe6  1  0.498727  0.498727  0.547861  1
  Fe  Fe7  1  0.498727  0.498727  0.595496  1
  Fe  Fe8  1  0.498727  0.498727  0.643132  1
  Fe  Fe9  1  0.498727  0.498727  0.690644  1
