# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15236581
_cell_length_b   6.82100675
_cell_length_c   46.32714248
_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   1312.1382592
_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  0.751828  0.154833  0.317938  1
  Fe  Fe2  1  0.751828  0.869765  0.282770  1
  Fe  Fe3  1  0.751828  0.510316  0.299396  1
  Fe  Fe4  1  0.251828  0.080539  0.288310  1
  Fe  Fe5  1  0.251828  0.723171  0.305522  1
  Fe  Fe6  1  0.251828  0.368683  0.323670  1
  Fe  Fe7  1  0.751828  0.079314  0.373099  1
  Fe  Fe8  1  0.751828  0.793760  0.336401  1
  Fe  Fe9  1  0.751828  0.437524  0.354566  1
  Fe  Fe10  1  0.251828  0.009024  0.342328  1
  Fe  Fe11  1  0.251828  0.652372  0.360895  1
  Fe  Fe12  1  0.251828  0.295059  0.379273  1
  Fe  Fe13  1  0.751828  0.006366  0.428898  1
  Fe  Fe14  1  0.751828  0.721605  0.391865  1
  Fe  Fe15  1  0.751828  0.363658  0.410249  1
  Fe  Fe16  1  0.251828  0.937710  0.398039  1
  Fe  Fe17  1  0.251828  0.579637  0.416587  1
  Fe  Fe18  1  0.251828  0.222343  0.435119  1
  Fe  Fe19  1  0.751828  0.933279  0.484619  1
  Fe  Fe20  1  0.751828  0.648486  0.447491  1
  Fe  Fe21  1  0.751828  0.290913  0.466029  1
  Fe  Fe22  1  0.251828  0.864593  0.453744  1
  Fe  Fe23  1  0.251828  0.506892  0.472314  1
  Fe  Fe24  1  0.251828  0.149326  0.490870  1
  Fe  Fe25  1  0.751828  0.860301  0.540338  1
  Fe  Fe26  1  0.751828  0.575568  0.503211  1
  Fe  Fe27  1  0.751828  0.218002  0.521768  1
  Fe  Fe28  1  0.251828  0.791615  0.509463  1
  Fe  Fe29  1  0.251828  0.433981  0.528053  1
  Fe  Fe30  1  0.251828  0.076408  0.546591  1
  Fe  Fe31  1  0.751828  0.787184  0.596043  1
  Fe  Fe32  1  0.751828  0.502551  0.558963  1
  Fe  Fe33  1  0.751828  0.145257  0.577495  1
  Fe  Fe34  1  0.251828  0.718528  0.565184  1
  Fe  Fe35  1  0.251828  0.361236  0.583833  1
  Fe  Fe36  1  0.251828  1.003289  0.602217  1
  Fe  Fe37  1  0.751828  0.715870  0.651754  1
  Fe  Fe38  1  0.751828  0.429835  0.614809  1
  Fe  Fe39  1  0.751828  0.072522  0.633187  1
  Fe  Fe40  1  0.251828  0.645580  0.620983  1
  Fe  Fe41  1  0.251828  0.287370  0.639516  1
  Fe  Fe42  1  0.251828  0.931134  0.657681  1
  Fe  Fe43  1  0.751828  0.644355  0.705772  1
  Fe  Fe44  1  0.751828  0.356211  0.670412  1
  Fe  Fe45  1  0.751828  1.001723  0.688560  1
  Fe  Fe46  1  0.251828  0.570061  0.676144  1
  Fe  Fe47  1  0.251828  0.214578  0.694686  1
  Fe  Fe48  1  0.251828  0.855129  0.711312  1
