# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52310680
_cell_length_b   4.11691714
_cell_length_c   47.84945752
_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   Fe20
_cell_volume   497.032490343
_cell_formula_units_Z   20
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  -0.000869  0.249531  0.304800  1
  Fe  Fe2  1  0.499131  0.749531  0.289744  1
  Fe  Fe3  1  0.499131  0.249531  0.349702  1
  Fe  Fe4  1  -0.000869  0.749531  0.334409  1
  Fe  Fe5  1  -0.000869  0.249531  0.395209  1
  Fe  Fe6  1  0.499131  0.749531  0.380066  1
  Fe  Fe7  1  0.499131  0.249531  0.440713  1
  Fe  Fe8  1  -0.000869  0.749531  0.425616  1
  Fe  Fe9  1  -0.000869  0.249531  0.486228  1
  Fe  Fe10  1  0.499131  0.749531  0.471147  1
  Fe  Fe11  1  0.499131  0.249531  0.531750  1
  Fe  Fe12  1  -0.000869  0.749531  0.516668  1
  Fe  Fe13  1  -0.000869  0.249531  0.577281  1
  Fe  Fe14  1  0.499131  0.749531  0.562183  1
  Fe  Fe15  1  0.499131  0.249531  0.622831  1
  Fe  Fe16  1  -0.000869  0.749531  0.607687  1
  Fe  Fe17  1  -0.000869  0.249531  0.668487  1
  Fe  Fe18  1  0.499131  0.749531  0.653194  1
  Fe  Fe19  1  0.499131  0.249531  0.713152  1
  Fe  Fe20  1  -0.000869  0.749531  0.698096  1
