# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59474095
_cell_length_b   4.24069788
_cell_length_c   47.32432994
_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   Fe18
_cell_volume   520.733853156
_cell_formula_units_Z   18
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  1.001434  0.251020  0.317238  1
  Fe  Fe2  1  0.501434  0.751020  0.302359  1
  Fe  Fe3  1  0.501434  0.251020  0.364758  1
  Fe  Fe4  1  1.001434  0.751020  0.349055  1
  Fe  Fe5  1  1.001434  0.251020  0.412543  1
  Fe  Fe6  1  0.501434  0.751020  0.396640  1
  Fe  Fe7  1  0.501434  0.251020  0.460283  1
  Fe  Fe8  1  1.001434  0.751020  0.444304  1
  Fe  Fe9  1  1.001434  0.251020  0.508003  1
  Fe  Fe10  1  0.501434  0.751020  0.492006  1
  Fe  Fe11  1  0.501434  0.251020  0.555704  1
  Fe  Fe12  1  1.001434  0.751020  0.539726  1
  Fe  Fe13  1  1.001434  0.251020  0.603368  1
  Fe  Fe14  1  0.501434  0.751020  0.587465  1
  Fe  Fe15  1  0.501434  0.251020  0.650954  1
  Fe  Fe16  1  1.001434  0.751020  0.635250  1
  Fe  Fe17  1  1.001434  0.251020  0.697649  1
  Fe  Fe18  1  0.501434  0.751020  0.682770  1
