# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57568501
_cell_length_b   10.80287771
_cell_length_c   47.43853812
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.08245814
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe48
_cell_volume   1310.35962751
_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  0.480308  0.556567  0.296859  1
  Fe  Fe2  1  0.197132  0.123666  0.279333  1
  Fe  Fe3  1  0.881409  0.752785  0.311274  1
  Fe  Fe4  1  0.598714  0.318720  0.293420  1
  Fe  Fe5  1  0.045241  0.426120  0.333238  1
  Fe  Fe6  1  0.763729  0.990910  0.314513  1
  Fe  Fe7  1  0.446403  0.622076  0.348326  1
  Fe  Fe8  1  0.163910  0.187801  0.330411  1
  Fe  Fe9  1  0.610380  0.294540  0.370446  1
  Fe  Fe10  1  0.328426  0.859865  0.351299  1
  Fe  Fe11  1  0.011950  0.490006  0.385558  1
  Fe  Fe12  1  0.730162  0.055051  0.366817  1
  Fe  Fe13  1  0.176521  0.161941  0.407229  1
  Fe  Fe14  1  0.893329  0.728452  0.388587  1
  Fe  Fe15  1  0.577992  0.357386  0.422767  1
  Fe  Fe16  1  0.295204  0.923483  0.403935  1
  Fe  Fe17  1  0.741940  0.029857  0.444276  1
  Fe  Fe18  1  0.458884  0.596109  0.425811  1
  Fe  Fe19  1  0.143649  0.225047  0.459767  1
  Fe  Fe20  1  0.860634  0.791306  0.441127  1
  Fe  Fe21  1  0.307383  0.897672  0.481401  1
  Fe  Fe22  1  0.024603  0.463855  0.462990  1
  Fe  Fe23  1  0.709105  0.092859  0.496830  1
  Fe  Fe24  1  0.426294  0.659057  0.478320  1
  Fe  Fe25  1  0.873053  0.765347  0.518578  1
  Fe  Fe26  1  0.590242  0.331544  0.500068  1
  Fe  Fe27  1  0.274744  0.960549  0.533907  1
  Fe  Fe28  1  0.991964  0.526732  0.515496  1
  Fe  Fe29  1  0.438712  0.633098  0.555770  1
  Fe  Fe30  1  0.155698  0.199357  0.537131  1
  Fe  Fe31  1  0.840463  0.828294  0.571086  1
  Fe  Fe32  1  0.557407  0.394547  0.552621  1
  Fe  Fe33  1  1.004143  0.500921  0.592963  1
  Fe  Fe34  1  0.721355  0.067017  0.574131  1
  Fe  Fe35  1  0.406018  0.695952  0.608310  1
  Fe  Fe36  1  0.122826  0.262463  0.589669  1
  Fe  Fe37  1  0.569185  0.369353  0.630080  1
  Fe  Fe38  1  0.287397  0.934398  0.611339  1
  Fe  Fe39  1  0.970921  0.564539  0.645599  1
  Fe  Fe40  1  0.688967  0.129863  0.626451  1
  Fe  Fe41  1  0.135437  0.236603  0.666486  1
  Fe  Fe42  1  0.852944  0.802327  0.648571  1
  Fe  Fe43  1  0.535618  0.433493  0.682384  1
  Fe  Fe44  1  0.254106  0.998283  0.663659  1
  Fe  Fe45  1  0.700633  0.105683  0.703477  1
  Fe  Fe46  1  0.417938  0.671618  0.685623  1
  Fe  Fe47  1  0.102215  0.300737  0.717564  1
  Fe  Fe48  1  0.819038  0.867836  0.700038  1
