# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.16835167
_cell_length_b   2.33626975
_cell_length_c   60.91077627
_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   Fe13
_cell_volume   308.565125349
_cell_formula_units_Z   13
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  0.509423  1.168652  0.183871  1
  Fe  Fe2  1  0.509423  0.668652  0.218322  1
  Fe  Fe3  1  0.509423  1.168652  0.251597  1
  Fe  Fe4  1  0.509423  0.668652  0.284872  1
  Fe  Fe5  1  0.509423  1.168652  0.318148  1
  Fe  Fe6  1  0.509423  0.668652  0.351423  1
  Fe  Fe7  1  0.509423  1.168652  0.384699  1
  Fe  Fe8  1  0.509423  0.668652  0.417974  1
  Fe  Fe9  1  0.509423  1.168652  0.451249  1
  Fe  Fe10  1  0.509423  0.668652  0.484525  1
  Fe  Fe11  1  0.509423  1.168652  0.517800  1
  Fe  Fe12  1  0.509423  0.668652  0.551075  1
  Fe  Fe13  1  0.509423  1.168652  0.585526  1
