# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64762565
_cell_length_b   3.64762565
_cell_length_c   47.77782009
_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   Fe24
_cell_volume   635.692155695
_cell_formula_units_Z   24
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  1.001463  1.001463  0.285794  1
  Fe  Fe2  1  0.501463  0.501463  0.285794  1
  Fe  Fe3  1  1.001463  0.501463  0.324861  1
  Fe  Fe4  1  0.501463  1.001463  0.324861  1
  Fe  Fe5  1  1.001463  1.001463  0.363229  1
  Fe  Fe6  1  0.501463  0.501463  0.363229  1
  Fe  Fe7  1  1.001463  0.501463  0.401661  1
  Fe  Fe8  1  0.501463  1.001463  0.401661  1
  Fe  Fe9  1  1.001463  1.001463  0.440074  1
  Fe  Fe10  1  0.501463  0.501463  0.440074  1
  Fe  Fe11  1  1.001463  0.501463  0.478490  1
  Fe  Fe12  1  0.501463  1.001463  0.478490  1
  Fe  Fe13  1  1.001463  1.001463  0.516906  1
  Fe  Fe14  1  0.501463  0.501463  0.516906  1
  Fe  Fe15  1  1.001463  0.501463  0.555322  1
  Fe  Fe16  1  0.501463  1.001463  0.555322  1
  Fe  Fe17  1  1.001463  1.001463  0.593735  1
  Fe  Fe18  1  0.501463  0.501463  0.593735  1
  Fe  Fe19  1  1.001463  0.501463  0.632167  1
  Fe  Fe20  1  0.501463  1.001463  0.632167  1
  Fe  Fe21  1  1.001463  1.001463  0.670535  1
  Fe  Fe22  1  0.501463  0.501463  0.670535  1
  Fe  Fe23  1  1.001463  0.501463  0.709602  1
  Fe  Fe24  1  0.501463  1.001463  0.709602  1
