# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.33519614
_cell_length_b   2.33519614
_cell_length_c   46.57237097
_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   253.965706469
_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  0.498114  0.498114  0.299471  1
  Fe  Fe2  1  0.498114  0.498114  0.349562  1
  Fe  Fe3  1  0.498114  0.498114  0.399549  1
  Fe  Fe4  1  0.498114  0.498114  0.449535  1
  Fe  Fe5  1  0.498114  0.498114  0.499521  1
  Fe  Fe6  1  0.498114  0.498114  0.549506  1
  Fe  Fe7  1  0.498114  0.498114  0.599492  1
  Fe  Fe8  1  0.498114  0.498114  0.649479  1
  Fe  Fe9  1  0.498114  0.498114  0.699570  1
