# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47173241
_cell_length_b   2.50957911
_cell_length_c   63.24827535
_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   Fe13
_cell_volume   392.329560552
_cell_formula_units_Z   13
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  0.452613  0.380438  0.155890  1
  Fe  Fe2  1  0.452613  0.880438  0.190059  1
  Fe  Fe3  1  0.452613  0.380438  0.224588  1
  Fe  Fe4  1  0.452613  0.880438  0.259119  1
  Fe  Fe5  1  0.452613  0.380438  0.293650  1
  Fe  Fe6  1  0.452613  0.880438  0.328181  1
  Fe  Fe7  1  0.452613  0.380438  0.362713  1
  Fe  Fe8  1  0.452613  0.880438  0.397244  1
  Fe  Fe9  1  0.452613  0.380438  0.431775  1
  Fe  Fe10  1  0.452613  0.880438  0.466307  1
  Fe  Fe11  1  0.452613  0.380438  0.500838  1
  Fe  Fe12  1  0.452613  0.880438  0.535366  1
  Fe  Fe13  1  0.452613  0.380438  0.569535  1
