# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48884777
_cell_length_b   2.51266203
_cell_length_c   63.34408498
_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   396.13067846
_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  0.950437  0.880976  0.156099  1
  Fe  Fe2  1  -0.049563  0.380976  0.190264  1
  Fe  Fe3  1  0.950437  0.880976  0.224793  1
  Fe  Fe4  1  -0.049563  0.380976  0.259325  1
  Fe  Fe5  1  0.950437  0.880976  0.293856  1
  Fe  Fe6  1  -0.049563  0.380976  0.328387  1
  Fe  Fe7  1  0.950437  0.880976  0.362918  1
  Fe  Fe8  1  -0.049563  0.380976  0.397450  1
  Fe  Fe9  1  0.950437  0.880976  0.431981  1
  Fe  Fe10  1  -0.049563  0.380976  0.466512  1
  Fe  Fe11  1  0.950437  0.880976  0.501044  1
  Fe  Fe12  1  -0.049563  0.380976  0.535573  1
  Fe  Fe13  1  0.950437  0.880976  0.569738  1
