# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.29823453
_cell_length_b   7.09121977
_cell_length_c   46.20574724
_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   Fe30
_cell_volume   753.028282213
_cell_formula_units_Z   30
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  0.368286  0.170822  0.325275  1
  Fe  Fe2  1  0.506124  0.835384  0.324175  1
  Fe  Fe3  1  0.643963  0.499946  0.325275  1
  Fe  Fe4  1  0.630812  1.001511  0.369456  1
  Fe  Fe5  1  0.381437  0.669257  0.369456  1
  Fe  Fe6  1  0.506124  0.335384  0.369958  1
  Fe  Fe7  1  0.506124  0.835384  0.414071  1
  Fe  Fe8  1  0.629940  0.502377  0.414218  1
  Fe  Fe9  1  0.382309  0.168391  0.414218  1
  Fe  Fe10  1  0.379428  0.669032  0.458662  1
  Fe  Fe11  1  0.506124  0.335384  0.458668  1
  Fe  Fe12  1  0.632821  1.001736  0.458662  1
  Fe  Fe13  1  0.631285  0.501990  0.503151  1
  Fe  Fe14  1  0.380964  0.168778  0.503151  1
  Fe  Fe15  1  0.506124  0.835384  0.503178  1
  Fe  Fe16  1  0.506124  0.335384  0.547645  1
  Fe  Fe17  1  0.631285  1.001990  0.547673  1
  Fe  Fe18  1  0.380964  0.668778  0.547673  1
  Fe  Fe19  1  0.379428  0.169032  0.592162  1
  Fe  Fe20  1  0.506124  0.835384  0.592156  1
  Fe  Fe21  1  0.632821  0.501736  0.592162  1
  Fe  Fe22  1  0.629940  1.002377  0.636605  1
  Fe  Fe23  1  0.382309  0.668391  0.636605  1
  Fe  Fe24  1  0.506124  0.335384  0.636752  1
  Fe  Fe25  1  0.506124  0.835384  0.680866  1
  Fe  Fe26  1  0.630812  0.501511  0.681367  1
  Fe  Fe27  1  0.381437  0.169257  0.681367  1
  Fe  Fe28  1  0.368286  0.670822  0.725548  1
  Fe  Fe29  1  0.506124  0.335384  0.726648  1
  Fe  Fe30  1  0.643963  0.999946  0.725548  1
