# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82763785
_cell_length_b   9.00698288
_cell_length_c   49.07133557
_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   1249.77261094
_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  0.504894  0.998724  0.284363  1
  Fe  Fe2  1  0.504894  0.587582  0.321865  1
  Fe  Fe3  1  0.504894  0.286100  0.301297  1
  Fe  Fe4  1  0.004894  0.087582  0.321865  1
  Fe  Fe5  1  0.004894  0.786100  0.301297  1
  Fe  Fe6  1  0.004894  0.498724  0.284363  1
  Fe  Fe7  1  0.504894  0.885711  0.338886  1
  Fe  Fe8  1  0.504894  0.486112  0.376267  1
  Fe  Fe9  1  0.504894  0.187916  0.358118  1
  Fe  Fe10  1  0.004894  0.986112  0.376267  1
  Fe  Fe11  1  0.004894  0.687916  0.358118  1
  Fe  Fe12  1  0.004894  0.385711  0.338886  1
  Fe  Fe13  1  0.504894  0.786561  0.395015  1
  Fe  Fe14  1  0.504894  0.385770  0.432007  1
  Fe  Fe15  1  0.504894  0.085834  0.413403  1
  Fe  Fe16  1  0.004894  0.885770  0.432007  1
  Fe  Fe17  1  0.004894  0.585834  0.413403  1
  Fe  Fe18  1  0.004894  0.286561  0.395015  1
  Fe  Fe19  1  0.504894  0.685300  0.450482  1
  Fe  Fe20  1  0.504894  0.284700  0.487538  1
  Fe  Fe21  1  0.504894  0.985083  0.469036  1
  Fe  Fe22  1  0.004894  0.784700  0.487538  1
  Fe  Fe23  1  0.004894  0.485083  0.469036  1
  Fe  Fe24  1  0.004894  0.185300  0.450482  1
  Fe  Fe25  1  0.504894  0.584444  0.506080  1
  Fe  Fe26  1  0.504894  0.183843  0.543136  1
  Fe  Fe27  1  0.504894  0.884061  0.524582  1
  Fe  Fe28  1  0.004894  0.683843  0.543136  1
  Fe  Fe29  1  0.004894  0.384061  0.524582  1
  Fe  Fe30  1  0.004894  0.084444  0.506080  1
  Fe  Fe31  1  0.504894  0.483374  0.561611  1
  Fe  Fe32  1  0.504894  0.082583  0.598603  1
  Fe  Fe33  1  0.504894  0.783309  0.580215  1
  Fe  Fe34  1  0.004894  0.582583  0.598603  1
  Fe  Fe35  1  0.004894  0.283309  0.580215  1
  Fe  Fe36  1  0.004894  0.983374  0.561611  1
  Fe  Fe37  1  0.504894  0.383032  0.617351  1
  Fe  Fe38  1  0.504894  0.983432  0.654733  1
  Fe  Fe39  1  0.504894  0.681228  0.635500  1
  Fe  Fe40  1  0.004894  0.483432  0.654733  1
  Fe  Fe41  1  0.004894  0.181228  0.635500  1
  Fe  Fe42  1  0.004894  0.883032  0.617351  1
  Fe  Fe43  1  0.504894  0.281561  0.671753  1
  Fe  Fe44  1  0.504894  0.870419  0.709255  1
  Fe  Fe45  1  0.504894  0.583043  0.692321  1
  Fe  Fe46  1  0.004894  0.370419  0.709255  1
  Fe  Fe47  1  0.004894  0.083043  0.692321  1
  Fe  Fe48  1  0.004894  0.781561  0.671753  1
