# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56528658
_cell_length_b   2.56857942
_cell_length_c   53.60565488
_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   353.215288953
_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  0.321630  0.367240  0.223308  1
  Fe  Fe2  1  0.821630  0.867240  0.257003  1
  Fe  Fe3  1  0.321630  0.367240  0.291318  1
  Fe  Fe4  1  0.821630  0.867240  0.325708  1
  Fe  Fe5  1  0.321630  0.367240  0.360088  1
  Fe  Fe6  1  0.821630  0.867240  0.394469  1
  Fe  Fe7  1  0.321630  0.367240  0.428849  1
  Fe  Fe8  1  0.821630  0.867240  0.463230  1
  Fe  Fe9  1  0.321630  0.367240  0.497610  1
  Fe  Fe10  1  0.821630  0.867240  0.531990  1
  Fe  Fe11  1  0.321630  0.367240  0.566380  1
  Fe  Fe12  1  0.821630  0.867240  0.600695  1
  Fe  Fe13  1  0.321630  0.367240  0.634390  1
