# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00881749
_cell_length_b   6.18454952
_cell_length_c   50.41665875
_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   Fe48
_cell_volume   1249.96662364
_cell_formula_units_Z   48
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  0.767020  0.267927  0.279802  1
  Fe  Fe2  1  0.767020  1.025738  0.242330  1
  Fe  Fe3  1  0.767020  0.634871  0.259459  1
  Fe  Fe4  1  0.267020  0.322489  0.251047  1
  Fe  Fe5  1  0.267020  0.944290  0.269192  1
  Fe  Fe6  1  0.267020  0.579715  0.288524  1
  Fe  Fe7  1  0.767020  0.158276  0.334418  1
  Fe  Fe8  1  0.767020  0.895969  0.297140  1
  Fe  Fe9  1  0.767020  0.529080  0.316030  1
  Fe  Fe10  1  0.267020  0.209502  0.306500  1
  Fe  Fe11  1  0.267020  0.842874  0.325158  1
  Fe  Fe12  1  0.267020  0.473133  0.343655  1
  Fe  Fe13  1  0.767020  1.051481  0.389976  1
  Fe  Fe14  1  0.767020  0.789744  0.352964  1
  Fe  Fe15  1  0.767020  0.420429  0.371448  1
  Fe  Fe16  1  0.267020  0.104690  0.362194  1
  Fe  Fe17  1  0.267020  0.735665  0.380690  1
  Fe  Fe18  1  0.267020  0.366810  0.399218  1
  Fe  Fe19  1  0.767020  0.944454  0.445503  1
  Fe  Fe20  1  0.767020  0.682422  0.408475  1
  Fe  Fe21  1  0.767020  0.313457  0.426993  1
  Fe  Fe22  1  0.267020  0.997818  0.417728  1
  Fe  Fe23  1  0.267020  0.628887  0.436243  1
  Fe  Fe24  1  0.267020  0.259903  0.454756  1
  Fe  Fe25  1  0.767020  0.837576  0.501045  1
  Fe  Fe26  1  0.767020  0.575491  0.464017  1
  Fe  Fe27  1  0.767020  0.206508  0.482530  1
  Fe  Fe28  1  0.267020  0.890941  0.473270  1
  Fe  Fe29  1  0.267020  0.521937  0.491780  1
  Fe  Fe30  1  0.267020  0.152972  0.510297  1
  Fe  Fe31  1  0.767020  0.730705  0.556579  1
  Fe  Fe32  1  0.767020  0.468585  0.519554  1
  Fe  Fe33  1  0.767020  0.099730  0.538082  1
  Fe  Fe34  1  0.267020  0.783913  0.528797  1
  Fe  Fe35  1  0.267020  0.414966  0.547325  1
  Fe  Fe36  1  0.267020  1.045650  0.565809  1
  Fe  Fe37  1  0.767020  0.625892  0.612273  1
  Fe  Fe38  1  0.767020  0.362261  0.575117  1
  Fe  Fe39  1  0.767020  0.992520  0.593614  1
  Fe  Fe40  1  0.267020  0.677118  0.584355  1
  Fe  Fe41  1  0.267020  0.306314  0.602743  1
  Fe  Fe42  1  0.267020  0.939426  0.621633  1
  Fe  Fe43  1  0.767020  0.512906  0.667726  1
  Fe  Fe44  1  0.767020  0.255679  0.630249  1
  Fe  Fe45  1  0.767020  0.891104  0.649581  1
  Fe  Fe46  1  0.267020  0.567467  0.638970  1
  Fe  Fe47  1  0.267020  0.200523  0.659314  1
  Fe  Fe48  1  0.267020  0.809656  0.676443  1
