# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83041791
_cell_length_b   5.66083583
_cell_length_c   51.93477362
_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   832.126526744
_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  0.146259  0.331974  0.239583  1
  Fe  Fe2  1  0.646259  0.581974  0.268033  1
  Fe  Fe3  1  0.646259  0.081974  0.268033  1
  Fe  Fe4  1  0.146259  0.831974  0.239583  1
  Fe  Fe5  1  0.146259  0.831974  0.295512  1
  Fe  Fe6  1  0.646259  0.081974  0.323331  1
  Fe  Fe7  1  0.646259  0.581974  0.323331  1
  Fe  Fe8  1  1.146259  0.331974  0.295512  1
  Fe  Fe9  1  1.146259  0.331974  0.351090  1
  Fe  Fe10  1  0.646259  0.581974  0.378863  1
  Fe  Fe11  1  0.646259  0.081974  0.378863  1
  Fe  Fe12  1  1.146259  0.831974  0.351090  1
  Fe  Fe13  1  0.146259  0.831974  0.406632  1
  Fe  Fe14  1  0.646259  0.081974  0.434402  1
  Fe  Fe15  1  0.646259  0.581974  0.434402  1
  Fe  Fe16  1  0.146259  0.331974  0.406632  1
  Fe  Fe17  1  1.146259  0.331974  0.462172  1
  Fe  Fe18  1  0.646259  0.581974  0.489942  1
  Fe  Fe19  1  0.646259  0.081974  0.489942  1
  Fe  Fe20  1  1.146259  0.831974  0.462172  1
  Fe  Fe21  1  0.146259  0.831974  0.517712  1
  Fe  Fe22  1  0.646259  0.081974  0.545484  1
  Fe  Fe23  1  0.646259  0.581974  0.545484  1
  Fe  Fe24  1  0.146259  0.331974  0.517712  1
  Fe  Fe25  1  0.146259  0.331974  0.573243  1
  Fe  Fe26  1  0.646259  0.581974  0.601062  1
  Fe  Fe27  1  0.646259  0.081974  0.601062  1
  Fe  Fe28  1  1.146259  0.831974  0.573243  1
  Fe  Fe29  1  1.146259  0.831974  0.628542  1
  Fe  Fe30  1  0.646259  0.081974  0.656991  1
  Fe  Fe31  1  0.646259  0.581974  0.656991  1
  Fe  Fe32  1  0.146259  0.331974  0.628542  1
