# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01754543
_cell_length_b   4.01754543
_cell_length_c   51.68745798
_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   834.270269507
_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  0.765897  0.814907  0.234494  1
  Fe  Fe2  1  0.265897  0.814907  0.261615  1
  Fe  Fe3  1  0.765897  0.314907  0.261615  1
  Fe  Fe4  1  0.265897  0.314907  0.289752  1
  Fe  Fe5  1  0.765897  0.814907  0.289656  1
  Fe  Fe6  1  0.265897  0.814907  0.317366  1
  Fe  Fe7  1  0.765897  0.314907  0.317366  1
  Fe  Fe8  1  0.265897  0.314907  0.345175  1
  Fe  Fe9  1  0.765897  0.814907  0.345171  1
  Fe  Fe10  1  0.265897  0.814907  0.372955  1
  Fe  Fe11  1  0.765897  0.314907  0.372955  1
  Fe  Fe12  1  0.265897  0.314907  0.400742  1
  Fe  Fe13  1  0.765897  0.814907  0.400742  1
  Fe  Fe14  1  0.265897  0.814907  0.428528  1
  Fe  Fe15  1  0.765897  0.314907  0.428528  1
  Fe  Fe16  1  0.265897  0.314907  0.456314  1
  Fe  Fe17  1  0.765897  0.814907  0.456314  1
  Fe  Fe18  1  0.265897  0.814907  0.484101  1
  Fe  Fe19  1  0.765897  0.314907  0.484101  1
  Fe  Fe20  1  0.265897  0.314907  0.511887  1
  Fe  Fe21  1  0.765897  0.814907  0.511886  1
  Fe  Fe22  1  0.265897  0.814907  0.539674  1
  Fe  Fe23  1  0.765897  0.314907  0.539674  1
  Fe  Fe24  1  0.265897  0.314907  0.567458  1
  Fe  Fe25  1  0.765897  0.814907  0.567454  1
  Fe  Fe26  1  0.265897  0.814907  0.595262  1
  Fe  Fe27  1  0.765897  0.314907  0.595262  1
  Fe  Fe28  1  0.265897  0.314907  0.622973  1
  Fe  Fe29  1  0.765897  0.814907  0.622876  1
  Fe  Fe30  1  0.265897  0.814907  0.651014  1
  Fe  Fe31  1  0.765897  0.314907  0.651014  1
  Fe  Fe32  1  0.265897  0.314907  0.678135  1
