# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45058419
_cell_length_b   3.45058419
_cell_length_c   56.11487613
_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   668.13352523
_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  0.016146  0.516146  0.248274  1
  Fe  Fe2  1  0.516146  1.016146  0.248274  1
  Fe  Fe3  1  1.016146  1.016146  0.283401  1
  Fe  Fe4  1  0.516146  0.516146  0.283401  1
  Fe  Fe5  1  1.016146  0.516146  0.319122  1
  Fe  Fe6  1  0.516146  1.016146  0.319122  1
  Fe  Fe7  1  1.016146  1.016146  0.354896  1
  Fe  Fe8  1  0.516146  0.516146  0.354896  1
  Fe  Fe9  1  0.016146  0.516146  0.390673  1
  Fe  Fe10  1  0.516146  0.016146  0.390673  1
  Fe  Fe11  1  1.016146  0.016146  0.426451  1
  Fe  Fe12  1  0.516146  0.516146  0.426451  1
  Fe  Fe13  1  1.016146  0.516146  0.462228  1
  Fe  Fe14  1  0.516146  0.016146  0.462228  1
  Fe  Fe15  1  0.016146  1.016146  0.498006  1
  Fe  Fe16  1  0.516146  0.516146  0.498006  1
  Fe  Fe17  1  1.016146  0.516146  0.533783  1
  Fe  Fe18  1  0.516146  0.016146  0.533783  1
  Fe  Fe19  1  0.016146  0.016146  0.569557  1
  Fe  Fe20  1  0.516146  0.516146  0.569557  1
  Fe  Fe21  1  1.016146  0.516146  0.605278  1
  Fe  Fe22  1  0.516146  0.016146  0.605278  1
  Fe  Fe23  1  0.016146  0.016146  0.640405  1
  Fe  Fe24  1  0.516146  0.516146  0.640405  1
