# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82653547
_cell_length_b   5.69599132
_cell_length_c   51.75603495
_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   833.268100657
_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  1.147146  0.713827  0.255041  1
  Fe  Fe2  1  0.647146  0.454154  0.228186  1
  Fe  Fe3  1  0.647146  0.454154  0.282401  1
  Fe  Fe4  1  1.147146  0.194480  0.255041  1
  Fe  Fe5  1  1.147146  0.207143  0.310865  1
  Fe  Fe6  1  0.647146  0.954154  0.284096  1
  Fe  Fe7  1  0.647146  0.954154  0.338619  1
  Fe  Fe8  1  1.147146  0.701165  0.310865  1
  Fe  Fe9  1  1.147146  0.704372  0.366465  1
  Fe  Fe10  1  0.647146  0.454154  0.338744  1
  Fe  Fe11  1  0.647146  0.454154  0.394251  1
  Fe  Fe12  1  1.147146  0.203935  0.366465  1
  Fe  Fe13  1  1.147146  0.204172  0.422046  1
  Fe  Fe14  1  0.647146  0.954154  0.394261  1
  Fe  Fe15  1  0.647146  0.954154  0.449835  1
  Fe  Fe16  1  1.147146  0.704135  0.422046  1
  Fe  Fe17  1  1.147146  0.704172  0.477625  1
  Fe  Fe18  1  0.647146  0.454154  0.449836  1
  Fe  Fe19  1  0.647146  0.454154  0.505410  1
  Fe  Fe20  1  1.147146  0.204135  0.477625  1
  Fe  Fe21  1  1.147146  0.204372  0.533206  1
  Fe  Fe22  1  0.647146  0.954154  0.505419  1
  Fe  Fe23  1  0.647146  0.954154  0.560927  1
  Fe  Fe24  1  1.147146  0.703935  0.533206  1
  Fe  Fe25  1  1.147146  0.707143  0.588806  1
  Fe  Fe26  1  0.647146  0.454154  0.561051  1
  Fe  Fe27  1  0.647146  0.454154  0.615574  1
  Fe  Fe28  1  1.147146  0.201165  0.588806  1
  Fe  Fe29  1  1.147146  0.213827  0.644630  1
  Fe  Fe30  1  0.647146  0.954154  0.617270  1
  Fe  Fe31  1  0.647146  0.954154  0.671484  1
  Fe  Fe32  1  1.147146  0.694480  0.644630  1
