# generated using pymatgen data_FeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87714940 _cell_length_b 5.87714940 _cell_length_c 14.31061522 _cell_angle_alpha 88.55341733 _cell_angle_beta 88.55341733 _cell_angle_gamma 61.85198224 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeO2 _chemical_formula_sum 'Fe12 O24' _cell_volume 435.65242540 _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 0.16650200 0.66293600 0.17032500 1.0 Fe Fe1 1 0.00312200 0.00312200 0.37743000 1.0 Fe Fe2 1 0.99850000 0.99850000 0.00540600 1.0 Fe Fe3 1 0.66293600 0.16650200 0.17032500 1.0 Fe Fe4 1 0.50047200 0.99792700 0.49910300 1.0 Fe Fe5 1 0.32827900 0.32827900 0.70530100 1.0 Fe Fe6 1 0.99792700 0.50047200 0.49910300 1.0 Fe Fe7 1 0.82818100 0.33731600 0.82830300 1.0 Fe Fe8 1 0.67086500 0.67086500 0.28849700 1.0 Fe Fe9 1 0.33731600 0.82818100 0.82830300 1.0 Fe Fe10 1 0.99706600 0.99706600 0.62356100 1.0 Fe Fe11 1 0.34061100 0.34061100 0.96097900 1.0 O O12 1 0.27637200 0.84140300 0.08513300 1.0 O O13 1 0.98845600 0.98845600 0.24888000 1.0 O O14 1 0.84140300 0.27637200 0.08513300 1.0 O O15 1 0.84888600 0.84888600 0.08805400 1.0 O O16 1 0.67865600 0.14602700 0.42155700 1.0 O O17 1 0.50105400 0.50105400 0.23647700 1.0 O O18 1 0.32281100 0.32281100 0.57569100 1.0 O O19 1 0.51724700 0.00210200 0.24282800 1.0 O O20 1 0.14602700 0.67865600 0.42155700 1.0 O O21 1 0.34667000 0.34667000 0.09241100 1.0 O O22 1 0.17510900 0.17510900 0.42317100 1.0 O O23 1 0.00210200 0.51724700 0.24282800 1.0 O O24 1 0.01475200 0.47754800 0.75779400 1.0 O O25 1 0.82388100 0.82388100 0.57680800 1.0 O O26 1 0.85579500 0.32206400 0.57809400 1.0 O O27 1 0.47754800 0.01475200 0.75779400 1.0 O O28 1 0.65897500 0.65897500 0.88773900 1.0 O O29 1 0.67925000 0.67925000 0.42112500 1.0 O O30 1 0.49519500 0.49519500 0.75828400 1.0 O O31 1 0.32206400 0.85579500 0.57809400 1.0 O O32 1 0.15532100 0.15532100 0.92055900 1.0 O O33 1 0.17345800 0.69770700 0.92216200 1.0 O O34 1 0.01466300 0.01466300 0.75817400 1.0 O O35 1 0.69770700 0.17345800 0.92216200 1.0