# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.44038876
_cell_length_b   2.44038876
_cell_length_c   64.10283869
_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   Fe14
_cell_volume   381.764282856
_cell_formula_units_Z   14
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  0.585972  0.585972  0.184770  1
  Fe  Fe2  1  0.085972  0.085972  0.154028  1
  Fe  Fe3  1  0.585972  0.585972  0.247338  1
  Fe  Fe4  1  0.085972  0.085972  0.216030  1
  Fe  Fe5  1  0.585972  0.585972  0.309960  1
  Fe  Fe6  1  0.085972  0.085972  0.278649  1
  Fe  Fe7  1  0.585972  0.585972  0.372582  1
  Fe  Fe8  1  0.085972  0.085972  0.341271  1
  Fe  Fe9  1  0.585972  0.585972  0.435204  1
  Fe  Fe10  1  0.085972  0.085972  0.403893  1
  Fe  Fe11  1  0.585972  0.585972  0.497822  1
  Fe  Fe12  1  0.085972  0.085972  0.466514  1
  Fe  Fe13  1  0.585972  0.585972  0.559824  1
  Fe  Fe14  1  0.085972  0.085972  0.529083  1
