# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05473321
_cell_length_b   4.05473321
_cell_length_c   47.89401155
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe26
_cell_volume   681.92468771
_cell_formula_units_Z   26
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  0.166502  0.583224  0.303729  1
  Fe  Fe2  1  0.499835  0.249890  0.286612  1
  Fe  Fe3  1  0.499835  0.249890  0.337250  1
  Fe  Fe4  1  0.833169  0.916557  0.318416  1
  Fe  Fe5  1  0.833169  0.916557  0.371148  1
  Fe  Fe6  1  0.166502  0.583224  0.354477  1
  Fe  Fe7  1  0.166502  0.583224  0.406082  1
  Fe  Fe8  1  0.499835  0.249890  0.388876  1
  Fe  Fe9  1  0.499835  0.249890  0.440623  1
  Fe  Fe10  1  0.833169  0.916557  0.423225  1
  Fe  Fe11  1  0.833169  0.916557  0.475118  1
  Fe  Fe12  1  0.166502  0.583224  0.457862  1
  Fe  Fe13  1  0.166502  0.583224  0.509672  1
  Fe  Fe14  1  0.499835  0.249890  0.492421  1
  Fe  Fe15  1  0.499835  0.249890  0.544231  1
  Fe  Fe16  1  0.833169  0.916557  0.526975  1
  Fe  Fe17  1  0.833169  0.916557  0.578869  1
  Fe  Fe18  1  0.166502  0.583224  0.561470  1
  Fe  Fe19  1  0.166502  0.583224  0.613217  1
  Fe  Fe20  1  0.499835  0.249890  0.596011  1
  Fe  Fe21  1  0.499835  0.249890  0.647616  1
  Fe  Fe22  1  0.833169  0.916557  0.630945  1
  Fe  Fe23  1  0.833169  0.916557  0.683677  1
  Fe  Fe24  1  0.166502  0.583224  0.664843  1
  Fe  Fe25  1  0.166502  0.583224  0.715481  1
  Fe  Fe26  1  0.499835  0.249890  0.698365  1
