# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.44819613
_cell_length_b   4.70232970
_cell_length_c   45.88069198
_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   528.188866235
_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  0.411284  1.008098  0.307753  1
  Fe  Fe2  1  0.102644  0.508098  0.307753  1
  Fe  Fe3  1  0.881282  0.784126  0.350928  1
  Fe  Fe4  1  0.632647  0.284126  0.350928  1
  Fe  Fe5  1  0.382346  0.561099  0.393915  1
  Fe  Fe6  1  0.131583  0.061099  0.393915  1
  Fe  Fe7  1  0.882315  0.338104  0.436919  1
  Fe  Fe8  1  0.631614  0.838104  0.436919  1
  Fe  Fe9  1  0.382370  0.115074  0.479925  1
  Fe  Fe10  1  0.131558  0.615074  0.479925  1
  Fe  Fe11  1  0.882514  0.891571  0.523047  1
  Fe  Fe12  1  0.631414  0.391571  0.523047  1
  Fe  Fe13  1  0.131413  0.615597  0.566288  1
  Fe  Fe14  1  0.382516  0.115597  0.566288  1
  Fe  Fe15  1  0.631545  0.392097  0.609410  1
  Fe  Fe16  1  0.882383  0.892097  0.609410  1
  Fe  Fe17  1  0.132669  0.169038  0.652400  1
  Fe  Fe18  1  0.381260  0.669038  0.652400  1
  Fe  Fe19  1  0.602643  0.945060  0.695575  1
  Fe  Fe20  1  0.911285  0.445060  0.695575  1
