# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61790057
_cell_length_b   8.61790057
_cell_length_c   4.57447214
_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   Fe28
_cell_volume   339.73785860
_cell_formula_units_Z   28
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  Fe0  1  0.90490800  0.09509200  0.50000000  1
  Fe  Fe1  1  0.09509200  0.90490800  0.50000000  1
  Fe  Fe2  1  0.40490800  0.40490800  0.00000000  1
  Fe  Fe3  1  0.59509200  0.59509200  0.00000000  1
  Fe  Fe4  1  0.98090700  0.36675700  0.50000000  1
  Fe  Fe5  1  0.01909300  0.63324300  0.50000000  1
  Fe  Fe6  1  0.48090700  0.13324300  0.00000000  1
  Fe  Fe7  1  0.51909300  0.86675700  0.00000000  1
  Fe  Fe8  1  0.36675700  0.98090700  0.50000000  1
  Fe  Fe9  1  0.63324300  0.01909300  0.50000000  1
  Fe  Fe10  1  0.13324300  0.48090700  0.00000000  1
  Fe  Fe11  1  0.86675700  0.51909300  0.00000000  1
  Fe  Fe12  1  0.27073600  0.46857800  0.50000000  1
  Fe  Fe13  1  0.72926400  0.53142200  0.50000000  1
  Fe  Fe14  1  0.77073600  0.03142200  0.00000000  1
  Fe  Fe15  1  0.22926400  0.96857800  0.00000000  1
  Fe  Fe16  1  0.46857800  0.27073600  0.50000000  1
  Fe  Fe17  1  0.53142200  0.72926400  0.50000000  1
  Fe  Fe18  1  0.03142200  0.77073600  0.00000000  1
  Fe  Fe19  1  0.96857800  0.22926400  0.00000000  1
  Fe  Fe20  1  0.71538800  0.28461200  0.24561600  1
  Fe  Fe21  1  0.28461200  0.71538800  0.24561600  1
  Fe  Fe22  1  0.21538800  0.21538800  0.74561600  1
  Fe  Fe23  1  0.78461200  0.78461200  0.74561600  1
  Fe  Fe24  1  0.28461200  0.71538800  0.75438400  1
  Fe  Fe25  1  0.71538800  0.28461200  0.75438400  1
  Fe  Fe26  1  0.78461200  0.78461200  0.25438400  1
  Fe  Fe27  1  0.21538800  0.21538800  0.25438400  1
