# generated using pymatgen data_FeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86200719 _cell_length_b 5.86200719 _cell_length_c 19.46461181 _cell_angle_alpha 81.08548329 _cell_angle_beta 81.08548329 _cell_angle_gamma 61.21704657 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeO2 _chemical_formula_sum 'Fe16 O32' _cell_volume 576.64651996 _cell_formula_units_Z 16 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 0.63405300 0.11788900 0.12484100 1.0 Fe Fe1 1 0.24709600 0.24709600 0.25441100 1.0 Fe Fe2 1 0.11788900 0.63405300 0.12484100 1.0 Fe Fe3 1 0.14996700 0.14996700 0.53509200 1.0 Fe Fe4 1 0.87061000 0.37217700 0.37818800 1.0 Fe Fe5 1 0.60359300 0.60359300 0.22096900 1.0 Fe Fe6 1 0.40106300 0.40106300 0.77914800 1.0 Fe Fe7 1 0.37217700 0.87061000 0.37818800 1.0 Fe Fe8 1 0.12262000 0.62498200 0.62418600 1.0 Fe Fe9 1 0.85103200 0.85103200 0.46558300 1.0 Fe Fe10 1 0.62498200 0.12262000 0.62418600 1.0 Fe Fe11 1 0.87419300 0.38322200 0.86989100 1.0 Fe Fe12 1 0.38322200 0.87419300 0.86989100 1.0 Fe Fe13 1 0.09776400 0.09776400 0.71568500 1.0 Fe Fe14 1 0.99725300 0.99725300 0.00238000 1.0 Fe Fe15 1 0.35298600 0.35298600 0.97146300 1.0 O O16 1 0.26106900 0.81571100 0.06292000 1.0 O O17 1 0.92507600 0.92507600 0.17638900 1.0 O O18 1 0.81571100 0.26106900 0.06292000 1.0 O O19 1 0.81560800 0.81560800 0.06623800 1.0 O O20 1 0.43121200 0.43121200 0.18845200 1.0 O O21 1 0.50790600 0.06267700 0.31445100 1.0 O O22 1 0.44019600 0.96892700 0.19049100 1.0 O O23 1 0.17403400 0.17403400 0.43760300 1.0 O O24 1 0.06267700 0.50790600 0.31445100 1.0 O O25 1 0.32612500 0.32612500 0.07105400 1.0 O O26 1 0.07503400 0.07503400 0.31821900 1.0 O O27 1 0.96892700 0.44019600 0.19049100 1.0 O O28 1 0.80565000 0.29240600 0.56760600 1.0 O O29 1 0.69208300 0.69208300 0.42751400 1.0 O O30 1 0.70434000 0.19633500 0.43204100 1.0 O O31 1 0.42988700 0.42988700 0.68224600 1.0 O O32 1 0.29240600 0.80565000 0.56760600 1.0 O O33 1 0.56909900 0.56909900 0.31908100 1.0 O O34 1 0.31383100 0.31383100 0.56881700 1.0 O O35 1 0.19633500 0.70434000 0.43204100 1.0 O O36 1 0.93410100 0.93410100 0.68105000 1.0 O O37 1 0.07230700 0.54224300 0.81647700 1.0 O O38 1 0.95814100 0.44135000 0.68251200 1.0 O O39 1 0.68711600 0.68711600 0.91564700 1.0 O O40 1 0.54224300 0.07230700 0.81647700 1.0 O O41 1 0.82245800 0.82245800 0.56478300 1.0 O O42 1 0.55711100 0.55711100 0.81670900 1.0 O O43 1 0.44135000 0.95814100 0.68251200 1.0 O O44 1 0.18227000 0.18227000 0.93726400 1.0 O O45 1 0.19579600 0.71843400 0.94018600 1.0 O O46 1 0.07752800 0.07752800 0.81624300 1.0 O O47 1 0.71843400 0.19579600 0.94018600 1.0