# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05547236
_cell_length_b   4.95676198
_cell_length_c   51.30214684
_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   Fe40
_cell_volume   1031.27633102
_cell_formula_units_Z   40
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  0.297898  0.347841  0.254027  1
  Fe  Fe2  1  0.797898  0.151098  0.274759  1
  Fe  Fe3  1  0.297898  0.847841  0.254027  1
  Fe  Fe4  1  0.797898  0.651098  0.274759  1
  Fe  Fe5  1  0.297898  -0.001352  0.298410  1
  Fe  Fe6  1  0.797898  0.826338  0.320654  1
  Fe  Fe7  1  0.297898  0.498648  0.298410  1
  Fe  Fe8  1  0.797898  0.326338  0.320654  1
  Fe  Fe9  1  0.297898  0.662593  0.343810  1
  Fe  Fe10  1  0.797898  0.494416  0.366423  1
  Fe  Fe11  1  0.297898  0.162593  0.343810  1
  Fe  Fe12  1  0.797898  0.994416  0.366423  1
  Fe  Fe13  1  0.297898  0.328678  0.389348  1
  Fe  Fe14  1  0.797898  0.161543  0.412092  1
  Fe  Fe15  1  0.297898  0.828678  0.389348  1
  Fe  Fe16  1  0.797898  0.661543  0.412092  1
  Fe  Fe17  1  0.297898  0.995235  0.434944  1
  Fe  Fe18  1  0.797898  0.828398  0.457726  1
  Fe  Fe19  1  0.297898  0.495235  0.434944  1
  Fe  Fe20  1  0.797898  0.328398  0.457726  1
  Fe  Fe21  1  0.297898  0.661962  0.480561  1
  Fe  Fe22  1  0.797898  0.495125  0.503344  1
  Fe  Fe23  1  0.297898  0.161962  0.480561  1
  Fe  Fe24  1  0.797898  0.995125  0.503344  1
  Fe  Fe25  1  0.297898  0.328817  0.526196  1
  Fe  Fe26  1  0.797898  0.161682  0.548939  1
  Fe  Fe27  1  0.297898  0.828817  0.526196  1
  Fe  Fe28  1  0.797898  0.661682  0.548939  1
  Fe  Fe29  1  0.297898  -0.004056  0.571865  1
  Fe  Fe30  1  0.797898  0.827766  0.594478  1
  Fe  Fe31  1  0.297898  0.495944  0.571865  1
  Fe  Fe32  1  0.797898  0.327766  0.594478  1
  Fe  Fe33  1  0.297898  0.664022  0.617633  1
  Fe  Fe34  1  0.797898  0.491712  0.639878  1
  Fe  Fe35  1  0.297898  0.164022  0.617633  1
  Fe  Fe36  1  0.797898  0.991712  0.639878  1
  Fe  Fe37  1  0.297898  0.339262  0.663529  1
  Fe  Fe38  1  0.797898  0.142519  0.684261  1
  Fe  Fe39  1  0.297898  0.839262  0.663529  1
  Fe  Fe40  1  0.797898  0.642519  0.684261  1
