# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.39193468
_cell_length_b   2.48412380
_cell_length_c   62.62322147
_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   372.098530997
_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  0.489037  0.915937  0.195393  1
  Fe  Fe2  1  0.989037  0.415937  0.226261  1
  Fe  Fe3  1  0.489037  0.915937  0.257626  1
  Fe  Fe4  1  0.989037  0.415937  0.288978  1
  Fe  Fe5  1  0.489037  0.915937  0.320330  1
  Fe  Fe6  1  0.989037  0.415937  0.351683  1
  Fe  Fe7  1  0.489037  0.915937  0.383035  1
  Fe  Fe8  1  0.989037  0.415937  0.414388  1
  Fe  Fe9  1  0.489037  0.915937  0.445740  1
  Fe  Fe10  1  0.989037  0.415937  0.477092  1
  Fe  Fe11  1  0.489037  0.915937  0.508444  1
  Fe  Fe12  1  0.989037  0.415937  0.539810  1
  Fe  Fe13  1  0.489037  0.915937  0.570677  1
