# generated using pymatgen data_Fe21O32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.29208705 _cell_length_b 8.29208705 _cell_length_c 8.29208641 _cell_angle_alpha 89.39218062 _cell_angle_beta 89.39218062 _cell_angle_gamma 89.39218253 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe21O32 _chemical_formula_sum 'Fe21 O32' _cell_volume 570.05757429 _cell_formula_units_Z 1 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 0.37318700 0.87615700 0.36501400 1.0 Fe Fe1 1 0.25110300 0.50095300 0.24894200 1.0 Fe Fe2 1 0.24894200 0.25110300 0.50095300 1.0 Fe Fe3 1 0.24275000 0.00000000 0.75725000 1.0 Fe Fe4 1 0.12616400 0.12616400 0.12616400 1.0 Fe Fe5 1 0.12384300 0.62681300 0.63498600 1.0 Fe Fe6 1 0.00391200 0.50000000 0.99608800 1.0 Fe Fe7 1 0.00000000 0.75725000 0.24275000 1.0 Fe Fe8 1 0.99608800 0.00391200 0.50000000 1.0 Fe Fe9 1 0.87615700 0.36501400 0.37318700 1.0 Fe Fe10 1 0.87383600 0.87383600 0.87383600 1.0 Fe Fe11 1 0.75725000 0.24275000 0.00000000 1.0 Fe Fe12 1 0.75105800 0.49904700 0.74889700 1.0 Fe Fe13 1 0.74889700 0.75105800 0.49904700 1.0 Fe Fe14 1 0.62681300 0.63498600 0.12384300 1.0 Fe Fe15 1 0.63498600 0.12384300 0.62681300 1.0 Fe Fe16 1 0.50095300 0.24894200 0.25110300 1.0 Fe Fe17 1 0.50000000 0.50000000 0.50000000 1.0 Fe Fe18 1 0.50000000 0.99608800 0.00391200 1.0 Fe Fe19 1 0.49904700 0.74889700 0.75105800 1.0 Fe Fe20 1 0.36501400 0.37318700 0.87615700 1.0 O O21 1 0.26516100 0.01386900 0.99319600 1.0 O O22 1 0.26423100 0.26423100 0.26423100 1.0 O O23 1 0.27000400 0.76076600 0.73027100 1.0 O O24 1 0.26972900 0.23923400 0.72999600 1.0 O O25 1 0.25625000 0.48771400 0.49228700 1.0 O O26 1 0.23614800 0.01464700 0.50581600 1.0 O O27 1 0.23725200 0.49179500 0.01538300 1.0 O O28 1 0.23923400 0.72999600 0.26972900 1.0 O O29 1 0.01538300 0.23725200 0.49179500 1.0 O O30 1 0.00680400 0.98613100 0.73483900 1.0 O O31 1 0.01464700 0.50581600 0.23614800 1.0 O O32 1 0.01386900 0.99319600 0.26516100 1.0 O O33 1 0.98613100 0.73483900 0.00680400 1.0 O O34 1 0.98535300 0.76385200 0.49418400 1.0 O O35 1 0.99319600 0.26516100 0.01386900 1.0 O O36 1 0.98461700 0.50820500 0.76274800 1.0 O O37 1 0.76076600 0.73027100 0.27000400 1.0 O O38 1 0.76274800 0.98461700 0.50820500 1.0 O O39 1 0.76385200 0.49418400 0.98535300 1.0 O O40 1 0.74375000 0.50771300 0.51228600 1.0 O O41 1 0.73027100 0.27000400 0.76076600 1.0 O O42 1 0.73576900 0.73576900 0.73576900 1.0 O O43 1 0.72999600 0.26972900 0.23923400 1.0 O O44 1 0.73483900 0.00680400 0.98613100 1.0 O O45 1 0.50771300 0.51228600 0.74375000 1.0 O O46 1 0.51228600 0.74375000 0.50771300 1.0 O O47 1 0.50581600 0.23614800 0.01464700 1.0 O O48 1 0.50820500 0.76274800 0.98461700 1.0 O O49 1 0.49179500 0.01538300 0.23725200 1.0 O O50 1 0.48771400 0.49228700 0.25625000 1.0 O O51 1 0.49418400 0.98535300 0.76385200 1.0 O O52 1 0.49228700 0.25625000 0.48771400 1.0