# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23886317
_cell_length_b   4.50340585
_cell_length_c   46.70910988
_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   Fe32
_cell_volume   891.645201617
_cell_formula_units_Z   32
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  0.751237  0.648474  0.281793  1
  Fe  Fe2  1  0.251237  0.827925  0.306603  1
  Fe  Fe3  1  0.751237  0.152203  0.307020  1
  Fe  Fe4  1  0.251237  0.330374  0.333409  1
  Fe  Fe5  1  0.751237  0.658706  0.334882  1
  Fe  Fe6  1  0.251237  0.831416  0.361847  1
  Fe  Fe7  1  0.751237  0.162832  0.362109  1
  Fe  Fe8  1  0.251237  0.332026  0.389557  1
  Fe  Fe9  1  0.751237  0.664794  0.390125  1
  Fe  Fe10  1  0.251237  0.832570  0.417671  1
  Fe  Fe11  1  0.751237  0.166002  0.417791  1
  Fe  Fe12  1  0.251237  0.332928  0.445507  1
  Fe  Fe13  1  0.751237  0.666619  0.445724  1
  Fe  Fe14  1  0.251237  0.833238  0.473472  1
  Fe  Fe15  1  0.751237  0.167041  0.473537  1
  Fe  Fe16  1  0.251237  0.333497  0.501327  1
  Fe  Fe17  1  0.751237  0.667326  0.501461  1
  Fe  Fe18  1  0.251237  0.833783  0.529250  1
  Fe  Fe19  1  0.751237  0.167586  0.529315  1
  Fe  Fe20  1  0.251237  0.334204  0.557064  1
  Fe  Fe21  1  0.751237  0.667896  0.557281  1
  Fe  Fe22  1  0.251237  0.834822  0.584997  1
  Fe  Fe23  1  0.751237  0.168254  0.585117  1
  Fe  Fe24  1  0.251237  0.336030  0.612662  1
  Fe  Fe25  1  0.751237  0.668798  0.613230  1
  Fe  Fe26  1  0.251237  0.837992  0.640679  1
  Fe  Fe27  1  0.751237  0.169408  0.640941  1
  Fe  Fe28  1  0.251237  0.342118  0.667905  1
  Fe  Fe29  1  0.751237  0.670450  0.669379  1
  Fe  Fe30  1  0.251237  0.848621  0.695767  1
  Fe  Fe31  1  0.751237  0.172899  0.696185  1
  Fe  Fe32  1  0.251237  0.352350  0.720995  1
