# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.10292955
_cell_length_b   4.02804604
_cell_length_c   47.95116273
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999999
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe26
_cell_volume   686.306732793
_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  0.276107  0.750877  0.303722  1
  Fe  Fe2  1  0.618033  0.427950  0.285977  1
  Fe  Fe3  1  0.590732  0.392446  0.337509  1
  Fe  Fe4  1  0.932789  0.071273  0.319267  1
  Fe  Fe5  1  0.904767  0.032108  0.371451  1
  Fe  Fe6  1  0.248629  0.713457  0.355029  1
  Fe  Fe7  1  0.218109  0.669177  0.406294  1
  Fe  Fe8  1  0.561352  0.350545  0.388972  1
  Fe  Fe9  1  0.531028  0.305786  0.440446  1
  Fe  Fe10  1  0.874486  0.987525  0.423160  1
  Fe  Fe11  1  0.844189  0.942489  0.474751  1
  Fe  Fe12  1  0.187678  0.624173  0.457688  1
  Fe  Fe13  1  0.157356  0.579126  0.509141  1
  Fe  Fe14  1  0.500731  0.260775  0.491921  1
  Fe  Fe15  1  0.470409  0.215728  0.543374  1
  Fe  Fe16  1  0.813898  0.897412  0.526311  1
  Fe  Fe17  1  0.783602  0.852376  0.577901  1
  Fe  Fe18  1  0.127059  0.534115  0.560616  1
  Fe  Fe19  1  0.096736  0.489356  0.612090  1
  Fe  Fe20  1  0.439979  0.170724  0.594767  1
  Fe  Fe21  1  0.409458  0.126445  0.646033  1
  Fe  Fe22  1  0.753320  0.807793  0.629611  1
  Fe  Fe23  1  0.725299  0.768628  0.681794  1
  Fe  Fe24  1  0.067356  0.447455  0.663552  1
  Fe  Fe25  1  0.040055  0.411951  0.715085  1
  Fe  Fe26  1  0.381981  0.089024  0.697339  1
