# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34918223
_cell_length_b   4.93168666
_cell_length_c   49.35509563
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.66425256
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe60
_cell_volume   1537.86976962
_cell_formula_units_Z   60
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  0.424436  0.382544  0.259874  1
  Fe  Fe2  1  0.774055  0.251174  0.273976  1
  Fe  Fe3  1  0.136731  0.134208  0.288140  1
  Fe  Fe4  1  0.424436  0.882544  0.259874  1
  Fe  Fe5  1  0.774055  0.751174  0.273976  1
  Fe  Fe6  1  0.136731  0.634208  0.288140  1
  Fe  Fe7  1  0.494605  0.046243  0.304908  1
  Fe  Fe8  1  0.853181  0.934776  0.319552  1
  Fe  Fe9  1  0.209818  0.826189  0.334729  1
  Fe  Fe10  1  0.494605  0.546243  0.304908  1
  Fe  Fe11  1  0.853181  0.434776  0.319552  1
  Fe  Fe12  1  0.209818  0.326189  0.334729  1
  Fe  Fe13  1  0.568993  0.725866  0.350678  1
  Fe  Fe14  1  0.926719  0.617769  0.365775  1
  Fe  Fe15  1  0.284333  0.511576  0.381073  1
  Fe  Fe16  1  0.568993  0.225866  0.350678  1
  Fe  Fe17  1  0.926719  0.117769  0.365775  1
  Fe  Fe18  1  0.284333  0.011576  0.381073  1
  Fe  Fe19  1  0.642691  0.407775  0.396690  1
  Fe  Fe20  1  1.000609  0.301286  0.411954  1
  Fe  Fe21  1  0.358413  0.195451  0.427308  1
  Fe  Fe22  1  0.642691  0.907775  0.396690  1
  Fe  Fe23  1  1.000609  0.801286  0.411954  1
  Fe  Fe24  1  0.358413  0.695451  0.427308  1
  Fe  Fe25  1  0.716575  0.090646  0.442792  1
  Fe  Fe26  1  0.074498  0.984695  0.458128  1
  Fe  Fe27  1  0.432405  0.878927  0.473488  1
  Fe  Fe28  1  0.716575  0.590646  0.442792  1
  Fe  Fe29  1  0.074498  0.484695  0.458128  1
  Fe  Fe30  1  0.432405  0.378927  0.473488  1
  Fe  Fe31  1  0.790503  0.773862  0.488940  1
  Fe  Fe32  1  0.148409  0.668094  0.504299  1
  Fe  Fe33  1  0.506332  0.562142  0.519636  1
  Fe  Fe34  1  0.790503  0.273862  0.488940  1
  Fe  Fe35  1  0.148409  0.168094  0.504299  1
  Fe  Fe36  1  0.506332  0.062142  0.519636  1
  Fe  Fe37  1  0.864495  0.457338  0.535120  1
  Fe  Fe38  1  0.222299  0.351503  0.550474  1
  Fe  Fe39  1  0.580217  0.245014  0.565738  1
  Fe  Fe40  1  0.864495  0.957338  0.535120  1
  Fe  Fe41  1  0.222299  0.851503  0.550474  1
  Fe  Fe42  1  0.580217  0.745014  0.565738  1
  Fe  Fe43  1  0.938574  0.141212  0.581354  1
  Fe  Fe44  1  0.296188  0.035019  0.596652  1
  Fe  Fe45  1  0.653915  0.926923  0.611749  1
  Fe  Fe46  1  0.938574  0.641212  0.581354  1
  Fe  Fe47  1  0.296188  0.535019  0.596652  1
  Fe  Fe48  1  0.653915  0.426923  0.611749  1
  Fe  Fe49  1  1.013090  0.826599  0.627699  1
  Fe  Fe50  1  0.369727  0.718012  0.642876  1
  Fe  Fe51  1  0.728302  0.606545  0.657519  1
  Fe  Fe52  1  1.013090  0.326599  0.627699  1
  Fe  Fe53  1  0.369727  0.218012  0.642876  1
  Fe  Fe54  1  0.728302  0.106545  0.657519  1
  Fe  Fe55  1  0.086176  0.518580  0.674288  1
  Fe  Fe56  1  0.448852  0.401614  0.688452  1
  Fe  Fe57  1  0.798472  0.270244  0.702553  1
  Fe  Fe58  1  0.086176  0.018580  0.674288  1
  Fe  Fe59  1  0.448852  0.901614  0.688452  1
  Fe  Fe60  1  0.798472  0.770244  0.702553  1
