# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47006692
_cell_length_b   10.78966716
_cell_length_c   47.52772124
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.03640207
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe48
_cell_volume   1257.32705056
_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  0.946166  0.566996  0.300839  1
  Fe  Fe2  1  0.628379  0.136367  0.282250  1
  Fe  Fe3  1  0.074913  0.783910  0.308605  1
  Fe  Fe4  1  0.803992  0.351451  0.291706  1
  Fe  Fe5  1  0.416106  0.428866  0.337850  1
  Fe  Fe6  1  0.199176  0.999608  0.317135  1
  Fe  Fe7  1  0.527275  0.645027  0.346102  1
  Fe  Fe8  1  0.297396  0.214431  0.327980  1
  Fe  Fe9  1  0.943437  0.288968  0.373871  1
  Fe  Fe10  1  0.658715  0.861029  0.354073  1
  Fe  Fe11  1  0.982466  0.505664  0.383447  1
  Fe  Fe12  1  0.811142  0.074406  0.363362  1
  Fe  Fe13  1  0.462302  0.150461  0.409538  1
  Fe  Fe14  1  0.080020  0.722803  0.391114  1
  Fe  Fe15  1  0.658967  0.363769  0.420455  1
  Fe  Fe16  1  0.272823  0.935714  0.400458  1
  Fe  Fe17  1  0.888127  0.009393  0.446508  1
  Fe  Fe18  1  0.315819  0.581093  0.428945  1
  Fe  Fe19  1  0.166394  0.218060  0.456504  1
  Fe  Fe20  1  0.713462  0.793751  0.437696  1
  Fe  Fe21  1  0.144710  0.866935  0.483960  1
  Fe  Fe22  1  0.996163  0.442630  0.465612  1
  Fe  Fe23  1  0.593422  0.079233  0.493921  1
  Fe  Fe24  1  0.535343  0.652150  0.475476  1
  Fe  Fe25  1  0.837277  0.724427  0.520889  1
  Fe  Fe26  1  0.779198  0.297343  0.502443  1
  Fe  Fe27  1  0.376457  0.933947  0.530752  1
  Fe  Fe28  1  0.227909  0.509641  0.512405  1
  Fe  Fe29  1  0.659158  0.582826  0.558668  1
  Fe  Fe30  1  0.206225  0.158516  0.539860  1
  Fe  Fe31  1  0.056801  0.795484  0.567419  1
  Fe  Fe32  1  0.484493  0.367183  0.549856  1
  Fe  Fe33  1  0.099797  0.440863  0.595906  1
  Fe  Fe34  1  0.713652  0.012807  0.575909  1
  Fe  Fe35  1  0.292600  0.653774  0.605251  1
  Fe  Fe36  1  0.910318  0.226116  0.586826  1
  Fe  Fe37  1  0.561478  0.302171  0.633002  1
  Fe  Fe38  1  0.390154  0.870913  0.612918  1
  Fe  Fe39  1  0.713905  0.515548  0.642291  1
  Fe  Fe40  1  0.429182  0.087609  0.622493  1
  Fe  Fe41  1  0.075224  0.162145  0.668384  1
  Fe  Fe42  1  0.845345  0.731550  0.650263  1
  Fe  Fe43  1  0.173443  0.376969  0.679230  1
  Fe  Fe44  1  0.956514  0.947710  0.658514  1
  Fe  Fe45  1  0.568628  0.025126  0.704658  1
  Fe  Fe46  1  0.297707  0.592667  0.687759  1
  Fe  Fe47  1  0.744240  0.240210  0.714115  1
  Fe  Fe48  1  0.426453  0.809581  0.695526  1
