# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.45071430
_cell_length_b   4.79637748
_cell_length_c   45.45434179
_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   534.295372064
_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  0.607540  0.154920  0.325670  1
  Fe  Fe2  1  0.935136  0.654920  0.325670  1
  Fe  Fe3  1  0.398503  0.880407  0.369200  1
  Fe  Fe4  1  0.144172  0.380407  0.369200  1
  Fe  Fe5  1  0.649127  0.610516  0.413108  1
  Fe  Fe6  1  0.893549  0.110516  0.413108  1
  Fe  Fe7  1  0.149701  0.380012  0.456979  1
  Fe  Fe8  1  0.392974  0.880012  0.456979  1
  Fe  Fe9  1  0.892907  0.110572  0.500847  1
  Fe  Fe10  1  0.649768  0.610572  0.500847  1
  Fe  Fe11  1  0.392893  0.880005  0.544715  1
  Fe  Fe12  1  0.149782  0.380005  0.544715  1
  Fe  Fe13  1  0.649705  0.610586  0.588587  1
  Fe  Fe14  1  0.892971  0.110586  0.588587  1
  Fe  Fe15  1  0.393564  0.341129  0.632465  1
  Fe  Fe16  1  0.149111  0.841129  0.632465  1
  Fe  Fe17  1  0.644191  0.071229  0.676372  1
  Fe  Fe18  1  0.898485  0.571229  0.676372  1
  Fe  Fe19  1  0.107542  0.845759  0.719898  1
  Fe  Fe20  1  0.435133  0.345759  0.719898  1
