# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.30724627
_cell_length_b   7.23146452
_cell_length_c   47.11108185
_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   Fe30
_cell_volume   786.037543711
_cell_formula_units_Z   30
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  0.669592  0.155895  0.316962  1
  Fe  Fe2  1  0.417369  0.821818  0.315555  1
  Fe  Fe3  1  0.165198  0.487755  0.316950  1
  Fe  Fe4  1  0.190151  0.987967  0.359395  1
  Fe  Fe5  1  0.644288  0.655599  0.359395  1
  Fe  Fe6  1  0.917720  0.321889  0.360378  1
  Fe  Fe7  1  0.917036  0.821654  0.403250  1
  Fe  Fe8  1  0.262731  0.489921  0.403115  1
  Fe  Fe9  1  0.572186  0.153824  0.403046  1
  Fe  Fe10  1  0.585754  0.655232  0.446751  1
  Fe  Fe11  1  0.915959  0.321760  0.446335  1
  Fe  Fe12  1  0.250257  0.988402  0.446560  1
  Fe  Fe13  1  0.240326  0.487324  0.489984  1
  Fe  Fe14  1  0.584288  0.155295  0.489827  1
  Fe  Fe15  1  0.927382  0.822774  0.490070  1
  Fe  Fe16  1  0.862406  0.321903  0.533581  1
  Fe  Fe17  1  0.305886  0.988408  0.533586  1
  Fe  Fe18  1  0.583549  0.655036  0.532921  1
  Fe  Fe19  1  0.083932  0.155115  0.577439  1
  Fe  Fe20  1  0.805580  0.821902  0.576764  1
  Fe  Fe21  1  0.362308  0.488296  0.576771  1
  Fe  Fe22  1  0.427439  0.987439  0.620341  1
  Fe  Fe23  1  0.083929  0.655113  0.620501  1
  Fe  Fe24  1  0.740461  0.322771  0.620343  1
  Fe  Fe25  1  0.752126  0.821686  0.663882  1
  Fe  Fe26  1  0.415749  0.488533  0.663882  1
  Fe  Fe27  1  0.083954  0.155105  0.663669  1
  Fe  Fe28  1  0.083939  0.655109  0.707026  1
  Fe  Fe29  1  0.751106  0.321587  0.706895  1
  Fe  Fe30  1  0.416785  0.988629  0.706896  1
