# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57943279
_cell_length_b   13.27408961
_cell_length_c   46.85284921
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe60
_cell_volume   1604.22384533
_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  1.005043  0.395131  0.279571  1
  Fe  Fe2  1  1.005043  0.690478  0.308847  1
  Fe  Fe3  1  0.505043  0.042662  0.294251  1
  Fe  Fe4  1  0.505043  0.560780  0.279890  1
  Fe  Fe5  1  0.505043  0.856776  0.308363  1
  Fe  Fe6  1  1.005043  0.209187  0.293737  1
  Fe  Fe7  1  0.505043  0.337391  0.323955  1
  Fe  Fe8  1  0.505043  0.633541  0.354045  1
  Fe  Fe9  1  1.005043  0.985017  0.338706  1
  Fe  Fe10  1  1.005043  0.504313  0.324275  1
  Fe  Fe11  1  1.005043  0.800272  0.353733  1
  Fe  Fe12  1  0.505043  0.152114  0.338785  1
  Fe  Fe13  1  1.005043  0.280258  0.369331  1
  Fe  Fe14  1  1.005043  0.575478  0.399667  1
  Fe  Fe15  1  0.505043  0.927809  0.384322  1
  Fe  Fe16  1  0.505043  0.447188  0.369364  1
  Fe  Fe17  1  0.505043  0.742290  0.399432  1
  Fe  Fe18  1  1.005043  0.094481  0.384208  1
  Fe  Fe19  1  0.505043  0.222476  0.414792  1
  Fe  Fe20  1  0.505043  0.517526  0.445223  1
  Fe  Fe21  1  1.005043  0.870050  0.429944  1
  Fe  Fe22  1  1.005043  0.389438  0.414785  1
  Fe  Fe23  1  1.005043  0.684381  0.445075  1
  Fe  Fe24  1  0.505043  0.036809  0.429818  1
  Fe  Fe25  1  1.005043  0.164748  0.460335  1
  Fe  Fe26  1  1.005043  0.459648  0.490761  1
  Fe  Fe27  1  0.505043  0.812246  0.475554  1
  Fe  Fe28  1  0.505043  0.331620  0.460273  1
  Fe  Fe29  1  0.505043  0.626513  0.490664  1
  Fe  Fe30  1  1.005043  0.979025  0.475414  1
  Fe  Fe31  1  0.505043  0.106941  0.505902  1
  Fe  Fe32  1  0.505043  0.401833  0.536293  1
  Fe  Fe33  1  1.005043  0.754428  0.521152  1
  Fe  Fe34  1  1.005043  0.273805  0.505805  1
  Fe  Fe35  1  1.005043  0.568705  0.536231  1
  Fe  Fe36  1  0.505043  0.921207  0.521013  1
  Fe  Fe37  1  1.005043  0.049072  0.551492  1
  Fe  Fe38  1  1.005043  0.344016  0.581781  1
  Fe  Fe39  1  0.505043  0.696644  0.566748  1
  Fe  Fe40  1  0.505043  0.215927  0.551343  1
  Fe  Fe41  1  0.505043  0.510977  0.581774  1
  Fe  Fe42  1  1.005043  0.863404  0.566623  1
  Fe  Fe43  1  0.505043  0.991164  0.597134  1
  Fe  Fe44  1  0.505043  0.286265  0.627202  1
  Fe  Fe45  1  1.005043  0.638973  0.612358  1
  Fe  Fe46  1  1.005043  0.157975  0.596899  1
  Fe  Fe47  1  1.005043  0.453195  0.627235  1
  Fe  Fe48  1  0.505043  0.805644  0.612245  1
  Fe  Fe49  1  1.005043  0.933181  0.642834  1
  Fe  Fe50  1  1.005043  0.229140  0.672291  1
  Fe  Fe51  1  0.505043  0.581340  0.657781  1
  Fe  Fe52  1  0.505043  0.099912  0.642521  1
  Fe  Fe53  1  0.505043  0.396063  0.672611  1
  Fe  Fe54  1  1.005043  0.748436  0.657860  1
  Fe  Fe55  1  0.505043  0.876677  0.688203  1
  Fe  Fe56  1  0.505043  0.172673  0.716676  1
  Fe  Fe57  1  1.005043  0.524267  0.702830  1
  Fe  Fe58  1  1.005043  0.042975  0.687719  1
  Fe  Fe59  1  1.005043  0.338322  0.716996  1
  Fe  Fe60  1  0.505043  0.690791  0.702315  1
