# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03256557
_cell_length_b   4.03256557
_cell_length_c   47.79336390
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000001
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe26
_cell_volume   673.071351187
_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  0.833673  0.584012  0.302186  1
  Fe  Fe2  1  0.500339  0.250679  0.285349  1
  Fe  Fe3  1  0.500339  0.250679  0.336577  1
  Fe  Fe4  1  0.167006  0.917345  0.318189  1
  Fe  Fe5  1  0.167006  0.917345  0.370479  1
  Fe  Fe6  1  0.833673  0.584012  0.353478  1
  Fe  Fe7  1  0.833673  0.584012  0.405212  1
  Fe  Fe8  1  0.500339  0.250679  0.388079  1
  Fe  Fe9  1  0.500339  0.250679  0.439772  1
  Fe  Fe10  1  0.167006  0.917345  0.422417  1
  Fe  Fe11  1  0.167006  0.917345  0.474243  1
  Fe  Fe12  1  0.833673  0.584012  0.456986  1
  Fe  Fe13  1  0.833673  0.584012  0.508761  1
  Fe  Fe14  1  0.500339  0.250679  0.491528  1
  Fe  Fe15  1  0.500339  0.250679  0.543302  1
  Fe  Fe16  1  0.167006  0.917345  0.526046  1
  Fe  Fe17  1  0.167006  0.917345  0.577872  1
  Fe  Fe18  1  0.833673  0.584012  0.560516  1
  Fe  Fe19  1  0.833673  0.584012  0.612209  1
  Fe  Fe20  1  0.500339  0.250679  0.595077  1
  Fe  Fe21  1  0.500339  0.250679  0.646811  1
  Fe  Fe22  1  0.167006  0.917345  0.629810  1
  Fe  Fe23  1  0.167006  0.917345  0.682099  1
  Fe  Fe24  1  0.833673  0.584012  0.663712  1
  Fe  Fe25  1  0.833673  0.584012  0.714940  1
  Fe  Fe26  1  0.500339  0.250679  0.698102  1
