# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14435058
_cell_length_b   6.79957283
_cell_length_c   46.35357517
_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   1306.23510883
_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  0.752527  0.153121  0.315375  1
  Fe  Fe2  1  0.752527  0.865166  0.278646  1
  Fe  Fe3  1  0.752527  0.504905  0.295355  1
  Fe  Fe4  1  0.252527  0.085597  0.284439  1
  Fe  Fe5  1  0.252527  0.720264  0.302886  1
  Fe  Fe6  1  0.252527  0.366822  0.321319  1
  Fe  Fe7  1  0.752527  0.078292  0.371216  1
  Fe  Fe8  1  0.752527  0.793102  0.334476  1
  Fe  Fe9  1  0.752527  0.435637  0.352648  1
  Fe  Fe10  1  0.252527  0.008999  0.340669  1
  Fe  Fe11  1  0.252527  0.651360  0.358884  1
  Fe  Fe12  1  0.252527  0.294891  0.377409  1
  Fe  Fe13  1  0.752527  0.004674  0.426631  1
  Fe  Fe14  1  0.752527  0.719895  0.389662  1
  Fe  Fe15  1  0.752527  0.362332  0.408151  1
  Fe  Fe16  1  0.252527  0.937127  0.395974  1
  Fe  Fe17  1  0.252527  0.579549  0.414425  1
  Fe  Fe18  1  0.252527  0.222009  0.432918  1
  Fe  Fe19  1  0.752527  0.931811  0.482061  1
  Fe  Fe20  1  0.752527  0.647043  0.445093  1
  Fe  Fe21  1  0.752527  0.289440  0.463585  1
  Fe  Fe22  1  0.252527  0.864365  0.451397  1
  Fe  Fe23  1  0.252527  0.506778  0.469876  1
  Fe  Fe24  1  0.252527  0.149154  0.488360  1
  Fe  Fe25  1  0.752527  0.859003  0.537501  1
  Fe  Fe26  1  0.752527  0.574214  0.500538  1
  Fe  Fe27  1  0.752527  0.216590  0.519022  1
  Fe  Fe28  1  0.252527  0.791557  0.506837  1
  Fe  Fe29  1  0.252527  0.433928  0.525313  1
  Fe  Fe30  1  0.252527  0.076325  0.543805  1
  Fe  Fe31  1  0.752527  0.786242  0.592923  1
  Fe  Fe32  1  0.752527  0.501359  0.555980  1
  Fe  Fe33  1  0.752527  0.143819  0.574473  1
  Fe  Fe34  1  0.252527  0.718695  0.562267  1
  Fe  Fe35  1  0.252527  0.361037  0.580746  1
  Fe  Fe36  1  0.252527  1.003474  0.599236  1
  Fe  Fe37  1  0.752527  0.714370  0.648229  1
  Fe  Fe38  1  0.752527  0.428477  0.611489  1
  Fe  Fe39  1  0.752527  0.072008  0.630014  1
  Fe  Fe40  1  0.252527  0.645076  0.617682  1
  Fe  Fe41  1  0.252527  0.287731  0.636250  1
  Fe  Fe42  1  0.252527  0.930266  0.654422  1
  Fe  Fe43  1  0.752527  0.637771  0.704459  1
  Fe  Fe44  1  0.752527  0.356547  0.667579  1
  Fe  Fe45  1  0.752527  1.003104  0.686012  1
  Fe  Fe46  1  0.252527  0.570247  0.673522  1
  Fe  Fe47  1  0.252527  0.218463  0.693543  1
  Fe  Fe48  1  0.252527  0.858202  0.710252  1
