# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64760767
_cell_length_b   8.12561315
_cell_length_c   49.38333884
_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   Fe56
_cell_volume   1463.67519139
_cell_formula_units_Z   56
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  1.001465  0.579670  0.305272  1
  Fe  Fe2  1  1.001465  0.176114  0.272277  1
  Fe  Fe3  1  0.501465  0.378230  0.287522  1
  Fe  Fe4  1  0.501465  0.782462  0.322157  1
  Fe  Fe5  1  0.501465  0.676114  0.272277  1
  Fe  Fe6  1  0.501465  0.079670  0.305272  1
  Fe  Fe7  1  1.001465  0.282462  0.322157  1
  Fe  Fe8  1  1.001465  0.878230  0.287522  1
  Fe  Fe9  1  1.001465  0.381299  0.372100  1
  Fe  Fe10  1  1.001465  0.981715  0.338822  1
  Fe  Fe11  1  0.501465  0.181668  0.355402  1
  Fe  Fe12  1  0.501465  0.580969  0.388754  1
  Fe  Fe13  1  0.501465  0.481715  0.338822  1
  Fe  Fe14  1  0.501465  0.881299  0.372100  1
  Fe  Fe15  1  1.001465  0.080969  0.388754  1
  Fe  Fe16  1  1.001465  0.681668  0.355402  1
  Fe  Fe17  1  1.001465  0.179748  0.438684  1
  Fe  Fe18  1  1.001465  0.780523  0.405388  1
  Fe  Fe19  1  0.501465  0.980135  0.422035  1
  Fe  Fe20  1  0.501465  0.379349  0.455327  1
  Fe  Fe21  1  0.501465  0.280523  0.405388  1
  Fe  Fe22  1  0.501465  0.679748  0.438684  1
  Fe  Fe23  1  1.001465  0.879349  0.455327  1
  Fe  Fe24  1  1.001465  0.480135  0.422035  1
  Fe  Fe25  1  1.001465  0.978161  0.505263  1
  Fe  Fe26  1  1.001465  0.578952  0.471973  1
  Fe  Fe27  1  0.501465  0.778557  0.488618  1
  Fe  Fe28  1  0.501465  0.177766  0.521909  1
  Fe  Fe29  1  0.501465  0.078952  0.471973  1
  Fe  Fe30  1  0.501465  0.478161  0.505263  1
  Fe  Fe31  1  1.001465  0.677766  0.521909  1
  Fe  Fe32  1  1.001465  0.278557  0.488618  1
  Fe  Fe33  1  1.001465  0.776583  0.571846  1
  Fe  Fe34  1  1.001465  0.377369  0.538554  1
  Fe  Fe35  1  0.501465  0.576970  0.555198  1
  Fe  Fe36  1  0.501465  0.976195  0.588494  1
  Fe  Fe37  1  0.501465  0.877369  0.538554  1
  Fe  Fe38  1  0.501465  0.276583  0.571846  1
  Fe  Fe39  1  1.001465  0.476195  0.588494  1
  Fe  Fe40  1  1.001465  0.076970  0.555198  1
  Fe  Fe41  1  1.001465  0.575050  0.638480  1
  Fe  Fe42  1  1.001465  0.175749  0.605128  1
  Fe  Fe43  1  0.501465  0.375419  0.621782  1
  Fe  Fe44  1  0.501465  0.775003  0.655060  1
  Fe  Fe45  1  0.501465  0.675749  0.605128  1
  Fe  Fe46  1  0.501465  0.075050  0.638480  1
  Fe  Fe47  1  1.001465  0.275003  0.655060  1
  Fe  Fe48  1  1.001465  0.875419  0.621782  1
  Fe  Fe49  1  1.001465  0.378488  0.706359  1
  Fe  Fe50  1  1.001465  0.974255  0.671725  1
  Fe  Fe51  1  0.501465  0.177048  0.688609  1
  Fe  Fe52  1  0.501465  0.580603  0.721605  1
  Fe  Fe53  1  0.501465  0.474255  0.671725  1
  Fe  Fe54  1  0.501465  0.878488  0.706359  1
  Fe  Fe55  1  1.001465  0.080603  0.721605  1
  Fe  Fe56  1  1.001465  0.677048  0.688609  1
