# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52439035
_cell_length_b   8.02058917
_cell_length_c   49.70951542
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.25453471
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe36
_cell_volume   993.37280795
_cell_formula_units_Z   36
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  0.504985  0.790719  0.346703  1
  Fe  Fe2  1  0.685841  0.271552  0.300797  1
  Fe  Fe3  1  0.049314  0.030910  0.322426  1
  Fe  Fe4  1  0.185841  0.771552  0.300797  1
  Fe  Fe5  1  0.549314  0.530910  0.322426  1
  Fe  Fe6  1  1.004985  0.290719  0.346703  1
  Fe  Fe7  1  0.764774  0.070090  0.416974  1
  Fe  Fe8  1  0.914882  0.550536  0.369728  1
  Fe  Fe9  1  0.345524  0.310267  0.393621  1
  Fe  Fe10  1  0.414882  0.050536  0.369728  1
  Fe  Fe11  1  0.845524  0.810267  0.393621  1
  Fe  Fe12  1  0.264774  0.570090  0.416974  1
  Fe  Fe13  1  0.036658  0.349439  0.487740  1
  Fe  Fe14  1  0.190511  0.829854  0.440653  1
  Fe  Fe15  1  0.612277  0.589659  0.464129  1
  Fe  Fe16  1  0.690511  0.329854  0.440653  1
  Fe  Fe17  1  0.112277  0.089659  0.464129  1
  Fe  Fe18  1  0.536658  0.849439  0.487740  1
  Fe  Fe19  1  0.305142  0.628823  0.558334  1
  Fe  Fe20  1  0.458996  0.109238  0.511246  1
  Fe  Fe21  1  0.883376  0.869018  0.534858  1
  Fe  Fe22  1  0.958996  0.609238  0.511246  1
  Fe  Fe23  1  0.383376  0.369018  0.534858  1
  Fe  Fe24  1  0.805142  0.128823  0.558334  1
  Fe  Fe25  1  0.580771  0.908141  0.629258  1
  Fe  Fe26  1  0.730880  0.388588  0.582013  1
  Fe  Fe27  1  0.150130  0.148411  0.605366  1
  Fe  Fe28  1  0.230880  0.888588  0.582013  1
  Fe  Fe29  1  0.650130  0.648411  0.605366  1
  Fe  Fe30  1  0.080771  0.408141  0.629258  1
  Fe  Fe31  1  0.809813  0.187125  0.698190  1
  Fe  Fe32  1  0.990669  0.667958  0.652284  1
  Fe  Fe33  1  0.446339  0.427767  0.676561  1
  Fe  Fe34  1  0.490669  0.167958  0.652284  1
  Fe  Fe35  1  0.946339  0.927767  0.676561  1
  Fe  Fe36  1  0.309813  0.687125  0.698190  1
