# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.39294956
_cell_length_b   4.63021664
_cell_length_c   68.61284953
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe26
_cell_volume   721.209710965
_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  0.849953  0.965296  0.134294  1
  Fe  Fe2  1  0.758452  0.455436  0.148355  1
  Fe  Fe3  1  0.386288  0.919553  0.166785  1
  Fe  Fe4  1  0.258083  0.406225  0.181788  1
  Fe  Fe5  1  0.912682  0.869827  0.199982  1
  Fe  Fe6  1  0.766849  0.354119  0.215251  1
  Fe  Fe7  1  0.432473  0.817875  0.233249  1
  Fe  Fe8  1  0.278117  0.300924  0.248653  1
  Fe  Fe9  1  0.949216  0.764823  0.266553  1
  Fe  Fe10  1  0.790454  0.247206  0.282025  1
  Fe  Fe11  1  0.464326  0.711188  0.299877  1
  Fe  Fe12  1  0.303415  0.193242  0.315381  1
  Fe  Fe13  1  0.978469  0.657261  0.333213  1
  Fe  Fe14  1  0.816911  0.139214  0.348726  1
  Fe  Fe15  1  0.491965  0.603233  0.366558  1
  Fe  Fe16  1  0.331053  0.085287  0.382062  1
  Fe  Fe17  1  1.004926  0.549269  0.399914  1
  Fe  Fe18  1  0.846163  1.031652  0.415386  1
  Fe  Fe19  1  0.517263  0.495551  0.433287  1
  Fe  Fe20  1  0.362907  0.978600  0.448690  1
  Fe  Fe21  1  1.028530  0.442356  0.466688  1
  Fe  Fe22  1  0.882698  0.926648  0.481957  1
  Fe  Fe23  1  0.537297  0.390250  0.500152  1
  Fe  Fe24  1  0.409092  0.876922  0.515154  1
  Fe  Fe25  1  1.036928  0.341039  0.533585  1
  Fe  Fe26  1  0.945427  0.831179  0.547646  1
