# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47134581
_cell_length_b   2.47134581
_cell_length_c   56.17502680
_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   Fe14
_cell_volume   343.091790922
_cell_formula_units_Z   14
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  0.580041  0.580041  0.236724  1
  Fe  Fe2  1  1.080041  1.080041  0.204271  1
  Fe  Fe3  1  0.580041  0.580041  0.299137  1
  Fe  Fe4  1  1.080041  1.080041  0.267946  1
  Fe  Fe5  1  0.580041  0.580041  0.361511  1
  Fe  Fe6  1  1.080041  1.080041  0.330324  1
  Fe  Fe7  1  0.580041  0.580041  0.423884  1
  Fe  Fe8  1  0.080041  0.080041  0.392697  1
  Fe  Fe9  1  0.580041  0.580041  0.486257  1
  Fe  Fe10  1  0.080041  0.080041  0.455070  1
  Fe  Fe11  1  0.580041  0.580041  0.548635  1
  Fe  Fe12  1  1.080041  1.080041  0.517444  1
  Fe  Fe13  1  0.580041  0.580041  0.612310  1
  Fe  Fe14  1  1.080041  1.080041  0.579857  1
