# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.39105044
_cell_length_b   7.53773551
_cell_length_c   47.65118103
_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   Fe27
_cell_volume   858.822275884
_cell_formula_units_Z   27
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  -0.000320  0.981500  0.324334  1
  Fe  Fe2  1  -0.000320  0.677345  0.308893  1
  Fe  Fe3  1  -0.000320  0.373752  0.293601  1
  Fe  Fe4  1  0.999680  0.882762  0.372088  1
  Fe  Fe5  1  -0.000320  0.581961  0.356576  1
  Fe  Fe6  1  -0.000320  0.280794  0.341339  1
  Fe  Fe7  1  -0.000320  0.783499  0.419855  1
  Fe  Fe8  1  -0.000320  0.482716  0.404232  1
  Fe  Fe9  1  -0.000320  0.181494  0.388723  1
  Fe  Fe10  1  -0.000320  0.684352  0.467550  1
  Fe  Fe11  1  -0.000320  0.383632  0.451875  1
  Fe  Fe12  1  -0.000320  0.082741  0.436250  1
  Fe  Fe13  1  -0.000320  0.585318  0.515190  1
  Fe  Fe14  1  -0.000320  0.284567  0.499514  1
  Fe  Fe15  1  -0.000320  0.983816  0.483838  1
  Fe  Fe16  1  -0.000320  0.486392  0.562778  1
  Fe  Fe17  1  -0.000320  0.185501  0.547153  1
  Fe  Fe18  1  -0.000320  0.884781  0.531478  1
  Fe  Fe19  1  -0.000320  0.387639  0.610305  1
  Fe  Fe20  1  -0.000320  0.086418  0.594796  1
  Fe  Fe21  1  -0.000320  0.785634  0.579173  1
  Fe  Fe22  1  -0.000320  0.288340  0.657689  1
  Fe  Fe23  1  -0.000320  0.987172  0.642452  1
  Fe  Fe24  1  -0.000320  0.686371  0.626940  1
  Fe  Fe25  1  -0.000320  0.195381  0.705427  1
  Fe  Fe26  1  -0.000320  0.891789  0.690135  1
  Fe  Fe27  1  -0.000320  0.587633  0.674694  1
