# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81603809
_cell_length_b   4.89390872
_cell_length_c   48.10806138
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.73249314
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe60
_cell_volume   1596.71869859
_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  0.429472  0.067987  0.278355  1
  Fe  Fe2  1  0.789462  0.979750  0.292536  1
  Fe  Fe3  1  0.135463  0.885426  0.308368  1
  Fe  Fe4  1  0.539716  0.584427  0.276245  1
  Fe  Fe5  1  0.899305  0.494137  0.289559  1
  Fe  Fe6  1  0.242997  0.400896  0.306041  1
  Fe  Fe7  1  0.486851  0.796055  0.324342  1
  Fe  Fe8  1  0.838345  0.705810  0.339231  1
  Fe  Fe9  1  0.189076  0.614074  0.354500  1
  Fe  Fe10  1  0.598114  0.310822  0.321577  1
  Fe  Fe11  1  0.946396  0.220565  0.336459  1
  Fe  Fe12  1  0.296468  0.129231  0.351998  1
  Fe  Fe13  1  0.540278  0.523467  0.369433  1
  Fe  Fe14  1  0.891211  0.432569  0.384538  1
  Fe  Fe15  1  0.241991  0.341672  0.399778  1
  Fe  Fe16  1  0.647696  0.038721  0.366920  1
  Fe  Fe17  1  0.997979  0.947701  0.382094  1
  Fe  Fe18  1  0.348963  0.856512  0.397299  1
  Fe  Fe19  1  0.592915  0.250944  0.414806  1
  Fe  Fe20  1  0.943504  0.159982  0.429952  1
  Fe  Fe21  1  0.294330  0.069071  0.445100  1
  Fe  Fe22  1  0.699602  0.765631  0.412351  1
  Fe  Fe23  1  0.050224  0.674764  0.427499  1
  Fe  Fe24  1  0.401152  0.583812  0.442642  1
  Fe  Fe25  1  0.645101  0.978238  0.460197  1
  Fe  Fe26  1  0.995825  0.887306  0.475333  1
  Fe  Fe27  1  0.346600  0.796407  0.490463  1
  Fe  Fe28  1  0.751831  0.492934  0.457747  1
  Fe  Fe29  1  0.102574  0.402045  0.472878  1
  Fe  Fe30  1  0.453360  0.311115  0.488011  1
  Fe  Fe31  1  0.697332  0.705533  0.505577  1
  Fe  Fe32  1  0.048118  0.614604  0.520709  1
  Fe  Fe33  1  0.398861  0.523715  0.535841  1
  Fe  Fe34  1  0.804092  0.220242  0.503125  1
  Fe  Fe35  1  0.154867  0.129343  0.518255  1
  Fe  Fe36  1  0.505591  0.038411  0.533391  1
  Fe  Fe37  1  0.749540  0.432837  0.550946  1
  Fe  Fe38  1  0.100469  0.341884  0.566088  1
  Fe  Fe39  1  0.451090  0.251018  0.581236  1
  Fe  Fe40  1  0.856362  0.947577  0.548487  1
  Fe  Fe41  1  0.207188  0.856666  0.563636  1
  Fe  Fe42  1  0.557777  0.765705  0.578781  1
  Fe  Fe43  1  0.801729  0.160137  0.596289  1
  Fe  Fe44  1  0.152713  0.068947  0.611494  1
  Fe  Fe45  1  0.502996  0.977927  0.626668  1
  Fe  Fe46  1  0.908701  0.674977  0.593809  1
  Fe  Fe47  1  0.259481  0.584080  0.609049  1
  Fe  Fe48  1  0.610414  0.493181  0.624154  1
  Fe  Fe49  1  0.854224  0.887417  0.641589  1
  Fe  Fe50  1  0.204296  0.796084  0.657129  1
  Fe  Fe51  1  0.552578  0.705826  0.672011  1
  Fe  Fe52  1  0.961616  0.402574  0.639088  1
  Fe  Fe53  1  0.312347  0.310838  0.654357  1
  Fe  Fe54  1  0.663841  0.220593  0.669245  1
  Fe  Fe55  1  0.907695  0.615752  0.687547  1
  Fe  Fe56  1  0.251387  0.522511  0.704029  1
  Fe  Fe57  1  0.610977  0.432222  0.717342  1
  Fe  Fe58  1  0.015229  0.131222  0.685219  1
  Fe  Fe59  1  0.361230  0.036899  0.701051  1
  Fe  Fe60  1  0.721220  0.948662  0.715232  1
