# generated using pymatgen data_Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61790100 _cell_length_b 8.61790100 _cell_length_c 4.57447200 _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 339.73788211 _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 1.0 Fe Fe1 1 0.09509200 0.90490800 0.50000000 1.0 Fe Fe2 1 0.40490800 0.40490800 0.00000000 1.0 Fe Fe3 1 0.59509200 0.59509200 0.00000000 1.0 Fe Fe4 1 0.98090700 0.36675700 0.50000000 1.0 Fe Fe5 1 0.01909300 0.63324300 0.50000000 1.0 Fe Fe6 1 0.48090700 0.13324300 0.00000000 1.0 Fe Fe7 1 0.51909300 0.86675700 0.00000000 1.0 Fe Fe8 1 0.36675700 0.98090700 0.50000000 1.0 Fe Fe9 1 0.63324300 0.01909300 0.50000000 1.0 Fe Fe10 1 0.13324300 0.48090700 0.00000000 1.0 Fe Fe11 1 0.86675700 0.51909300 0.00000000 1.0 Fe Fe12 1 0.27073600 0.46857800 0.50000000 1.0 Fe Fe13 1 0.72926400 0.53142200 0.50000000 1.0 Fe Fe14 1 0.77073600 0.03142200 0.00000000 1.0 Fe Fe15 1 0.22926400 0.96857800 0.00000000 1.0 Fe Fe16 1 0.46857800 0.27073600 0.50000000 1.0 Fe Fe17 1 0.53142200 0.72926400 0.50000000 1.0 Fe Fe18 1 0.03142200 0.77073600 0.00000000 1.0 Fe Fe19 1 0.96857800 0.22926400 0.00000000 1.0 Fe Fe20 1 0.71538800 0.28461200 0.24561600 1.0 Fe Fe21 1 0.28461200 0.71538800 0.24561600 1.0 Fe Fe22 1 0.21538800 0.21538800 0.74561600 1.0 Fe Fe23 1 0.78461200 0.78461200 0.74561600 1.0 Fe Fe24 1 0.28461200 0.71538800 0.75438400 1.0 Fe Fe25 1 0.71538800 0.28461200 0.75438400 1.0 Fe Fe26 1 0.78461200 0.78461200 0.25438400 1.0 Fe Fe27 1 0.21538800 0.21538800 0.25438400 1.0