# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.39122205
_cell_length_b   8.56417179
_cell_length_c   47.92001795
_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   Fe33
_cell_volume   981.346208048
_cell_formula_units_Z   33
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  -0.000356  0.205498  0.302792  1
  Fe  Fe2  1  -0.000356  0.968122  0.275962  1
  Fe  Fe3  1  -0.000356  0.588083  0.289517  1
  Fe  Fe4  1  -0.000356  0.052714  0.344677  1
  Fe  Fe5  1  -0.000356  0.818472  0.317782  1
  Fe  Fe6  1  -0.000356  0.435582  0.331328  1
  Fe  Fe7  1  0.999644  0.899262  0.386528  1
  Fe  Fe8  1  -0.000356  0.666074  0.359273  1
  Fe  Fe9  1  -0.000356  0.282342  0.372891  1
  Fe  Fe10  1  -0.000356  0.745812  0.428271  1
  Fe  Fe11  1  -0.000356  0.513208  0.400832  1
  Fe  Fe12  1  -0.000356  0.129539  0.414557  1
  Fe  Fe13  1  0.999644  0.592656  0.469983  1
  Fe  Fe14  1  -0.000356  0.360424  0.442456  1
  Fe  Fe15  1  -0.000356  0.976506  0.456213  1
  Fe  Fe16  1  0.999644  0.439584  0.511659  1
  Fe  Fe17  1  -0.000356  0.207439  0.484101  1
  Fe  Fe18  1  -0.000356  0.823512  0.497880  1
  Fe  Fe19  1  -0.000356  0.286599  0.553304  1
  Fe  Fe20  1  -0.000356  0.054368  0.525777  1
  Fe  Fe21  1  -0.000356  0.670518  0.539547  1
  Fe  Fe22  1  -0.000356  0.133815  0.594928  1
  Fe  Fe23  1  -0.000356  0.901211  0.567489  1
  Fe  Fe24  1  -0.000356  0.517485  0.581203  1
  Fe  Fe25  1  -0.000356  0.980950  0.636486  1
  Fe  Fe26  1  0.999644  0.747761  0.609232  1
  Fe  Fe27  1  -0.000356  0.364682  0.622869  1
  Fe  Fe28  1  -0.000356  0.828551  0.677977  1
  Fe  Fe29  1  -0.000356  0.594310  0.651083  1
  Fe  Fe30  1  -0.000356  0.211441  0.664432  1
  Fe  Fe31  1  -0.000356  0.678902  0.719797  1
  Fe  Fe32  1  -0.000356  0.441526  0.692968  1
  Fe  Fe33  1  -0.000356  0.058940  0.706243  1
