# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83142972
_cell_length_b   2.83142972
_cell_length_c   49.12910940
_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   Fe16
_cell_volume   393.867789359
_cell_formula_units_Z   16
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  0.504208  0.504208  0.303221  1
  Fe  Fe2  1  0.004208  0.004208  0.272384  1
  Fe  Fe3  1  0.504208  0.504208  0.361958  1
  Fe  Fe4  1  0.004208  0.004208  0.332623  1
  Fe  Fe5  1  0.504208  0.504208  0.420645  1
  Fe  Fe6  1  0.004208  0.004208  0.391305  1
  Fe  Fe7  1  0.504208  0.504208  0.479328  1
  Fe  Fe8  1  0.004208  0.004208  0.449986  1
  Fe  Fe9  1  0.504208  0.504208  0.538010  1
  Fe  Fe10  1  0.004208  0.004208  0.508669  1
  Fe  Fe11  1  0.504208  0.504208  0.596692  1
  Fe  Fe12  1  0.004208  0.004208  0.567352  1
  Fe  Fe13  1  0.504208  0.504208  0.655373  1
  Fe  Fe14  1  0.004208  0.004208  0.626039  1
  Fe  Fe15  1  0.504208  0.504208  0.715613  1
  Fe  Fe16  1  0.004208  0.004208  0.684775  1
