# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83333639
_cell_length_b   4.05221830
_cell_length_c   46.55445369
_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   534.5055363
_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  0.503880  0.998250  0.303127  1
  Fe  Fe2  1  1.003880  0.498250  0.303127  1
  Fe  Fe3  1  0.503880  0.498250  0.346542  1
  Fe  Fe4  1  1.003880  0.998250  0.346542  1
  Fe  Fe5  1  0.503880  0.998250  0.390027  1
  Fe  Fe6  1  1.003880  0.498250  0.390027  1
  Fe  Fe7  1  0.503880  0.498250  0.433513  1
  Fe  Fe8  1  1.003880  0.998250  0.433513  1
  Fe  Fe9  1  0.503880  0.998250  0.477000  1
  Fe  Fe10  1  1.003880  0.498250  0.477000  1
  Fe  Fe11  1  0.503880  0.498250  0.520487  1
  Fe  Fe12  1  1.003880  0.998250  0.520487  1
  Fe  Fe13  1  0.503880  0.998250  0.563973  1
  Fe  Fe14  1  1.003880  0.498250  0.563973  1
  Fe  Fe15  1  0.503880  0.498250  0.607460  1
  Fe  Fe16  1  1.003880  0.998250  0.607460  1
  Fe  Fe17  1  0.503880  0.998250  0.650945  1
  Fe  Fe18  1  1.003880  0.498250  0.650945  1
  Fe  Fe19  1  0.503880  0.498250  0.694359  1
  Fe  Fe20  1  1.003880  0.998250  0.694359  1
