# generated using pymatgen data_FeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99055958 _cell_length_b 5.99055958 _cell_length_c 14.40006635 _cell_angle_alpha 89.66675019 _cell_angle_beta 89.66675019 _cell_angle_gamma 60.17890905 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeO2 _chemical_formula_sum 'Fe12 O24' _cell_volume 448.33250315 _cell_formula_units_Z 12 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 0.67792000 0.16025700 0.83316000 1.0 Fe Fe1 1 0.50030700 0.99903400 0.49999000 1.0 Fe Fe2 1 0.33433200 0.33433200 0.66642200 1.0 Fe Fe3 1 0.16123400 0.16123400 0.83241600 1.0 Fe Fe4 1 0.99903400 0.50030700 0.49999000 1.0 Fe Fe5 1 0.16025700 0.67792000 0.83316000 1.0 Fe Fe6 1 0.66353100 0.66353100 0.33348600 1.0 Fe Fe7 1 0.49924000 0.49924000 0.50003500 1.0 Fe Fe8 1 0.33264900 0.83243800 0.16608200 1.0 Fe Fe9 1 0.83358100 0.83358100 0.16644000 1.0 Fe Fe10 1 0.83243800 0.33264900 0.16608200 1.0 Fe Fe11 1 0.33547400 0.33547400 0.04601600 1.0 O O12 1 0.30528200 0.84477000 0.89374000 1.0 O O13 1 0.84651000 0.84651000 0.89495700 1.0 O O14 1 0.99804000 0.99804000 0.75620200 1.0 O O15 1 0.84477000 0.30528200 0.89374000 1.0 O O16 1 0.62781300 0.19690000 0.57912000 1.0 O O17 1 0.47323000 0.05426200 0.75668800 1.0 O O18 1 0.33418700 0.33418700 0.91224300 1.0 O O19 1 0.47283900 0.47283900 0.75583500 1.0 O O20 1 0.19141200 0.19141200 0.58284700 1.0 O O21 1 0.33755500 0.33755500 0.43232800 1.0 O O22 1 0.19690000 0.62781300 0.57912000 1.0 O O23 1 0.05426200 0.47323000 0.75668800 1.0 O O24 1 0.94541000 0.52377700 0.25378400 1.0 O O25 1 0.80109000 0.37592700 0.41883400 1.0 O O26 1 0.66180700 0.66180700 0.56773000 1.0 O O27 1 0.80750000 0.80750000 0.41692700 1.0 O O28 1 0.66545700 0.66545700 0.09861900 1.0 O O29 1 0.52217700 0.52217700 0.25316900 1.0 O O30 1 0.52377700 0.94541000 0.25378400 1.0 O O31 1 0.37592700 0.80109000 0.41883400 1.0 O O32 1 0.17004700 0.66402000 0.09797300 1.0 O O33 1 0.16850500 0.16850500 0.09770300 1.0 O O34 1 0.00135600 0.00135600 0.23147900 1.0 O O35 1 0.66402000 0.17004700 0.09797300 1.0