# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12016985
_cell_length_b   4.34256284
_cell_length_c   45.53130365
_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   Fe32
_cell_volume   814.650477588
_cell_formula_units_Z   32
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  0.749136  0.610769  0.277250  1
  Fe  Fe2  1  0.249136  0.776215  0.302062  1
  Fe  Fe3  1  0.749136  0.129150  0.303889  1
  Fe  Fe4  1  0.249136  0.290081  0.329043  1
  Fe  Fe5  1  0.749136  0.647189  0.332598  1
  Fe  Fe6  1  0.249136  0.806479  0.358054  1
  Fe  Fe7  1  0.749136  0.151876  0.359422  1
  Fe  Fe8  1  0.249136  0.314996  0.385804  1
  Fe  Fe9  1  0.749136  0.658397  0.387743  1
  Fe  Fe10  1  0.249136  0.822306  0.414066  1
  Fe  Fe11  1  0.749136  0.162039  0.415016  1
  Fe  Fe12  1  0.249136  0.326933  0.441826  1
  Fe  Fe13  1  0.749136  0.665468  0.442899  1
  Fe  Fe14  1  0.249136  0.830671  0.469764  1
  Fe  Fe15  1  0.749136  0.168237  0.470448  1
  Fe  Fe16  1  0.249136  0.333599  0.497455  1
  Fe  Fe17  1  0.749136  0.671004  0.498276  1
  Fe  Fe18  1  0.249136  0.836366  0.525284  1
  Fe  Fe19  1  0.749136  0.173932  0.525967  1
  Fe  Fe20  1  0.249136  0.339135  0.552832  1
  Fe  Fe21  1  0.749136  0.677669  0.553905  1
  Fe  Fe22  1  0.249136  0.842564  0.580716  1
  Fe  Fe23  1  0.749136  0.182297  0.581665  1
  Fe  Fe24  1  0.249136  0.346206  0.607989  1
  Fe  Fe25  1  0.749136  0.689607  0.609928  1
  Fe  Fe26  1  0.249136  0.852727  0.636310  1
  Fe  Fe27  1  0.749136  0.198124  0.637678  1
  Fe  Fe28  1  0.249136  0.357414  0.663134  1
  Fe  Fe29  1  0.749136  0.714522  0.666688  1
  Fe  Fe30  1  0.249136  0.875453  0.691842  1
  Fe  Fe31  1  0.749136  0.228388  0.693670  1
  Fe  Fe32  1  0.249136  0.393833  0.718482  1
