# generated using pymatgen data_Fe8O17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88302000 _cell_length_b 10.13313594 _cell_length_c 10.44127780 _cell_angle_alpha 90.96816243 _cell_angle_beta 90.07135307 _cell_angle_gamma 90.02473190 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe8O17 _chemical_formula_sum 'Fe16 O34' _cell_volume 622.35109589 _cell_formula_units_Z 2 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 0.99896900 0.65266000 0.11085100 1.0 Fe Fe1 1 0.00049100 0.85174900 0.62226300 1.0 Fe Fe2 1 0.24994900 0.16941800 0.58190000 1.0 Fe Fe3 1 0.25042800 0.32473000 0.08969700 1.0 Fe Fe4 1 0.00203500 0.34012100 0.78162500 1.0 Fe Fe5 1 0.00291100 0.13870000 0.27236300 1.0 Fe Fe6 1 0.24947700 0.82228800 0.31236700 1.0 Fe Fe7 1 0.24986000 0.66033900 0.79870600 1.0 Fe Fe8 1 0.50022500 0.65241200 0.11108400 1.0 Fe Fe9 1 0.49926300 0.85146400 0.62181300 1.0 Fe Fe10 1 0.74964300 0.16543300 0.57508900 1.0 Fe Fe11 1 0.75410000 0.17383600 0.97453600 1.0 Fe Fe12 1 0.49624100 0.33895500 0.78294600 1.0 Fe Fe13 1 0.49379200 0.13918800 0.27281700 1.0 Fe Fe14 1 0.74965200 0.82143200 0.31235800 1.0 Fe Fe15 1 0.74911300 0.65711700 0.79771200 1.0 O O16 1 0.99815600 0.69865700 0.30695600 1.0 O O17 1 0.99566100 0.94665300 0.29875600 1.0 O O18 1 0.99998900 0.66016300 0.67895500 1.0 O O19 1 0.99854500 0.66594800 0.91754800 1.0 O O20 1 0.25115300 0.21069800 0.76483000 1.0 O O21 1 0.25290100 0.46171200 0.78931400 1.0 O O22 1 0.24708300 0.11799900 0.15260300 1.0 O O23 1 0.24870800 0.15466900 0.39886900 1.0 O O24 1 0.99222200 0.29115900 0.58933900 1.0 O O25 1 0.99757700 0.04482500 0.59517700 1.0 O O26 1 0.04917500 0.32302800 0.23104700 1.0 O O27 1 0.00354400 0.30056200 0.97192300 1.0 O O28 1 0.24999400 0.77406900 0.12020900 1.0 O O29 1 0.24961800 0.52681500 0.10395900 1.0 O O30 1 0.25024400 0.85915500 0.74256400 1.0 O O31 1 0.24937000 0.82814200 0.50314800 1.0 O O32 1 0.50156500 0.69844800 0.30748700 1.0 O O33 1 0.50278700 0.94674100 0.29906900 1.0 O O34 1 0.49887700 0.66120000 0.67790000 1.0 O O35 1 0.50066400 0.66660800 0.91770000 1.0 O O36 1 0.74609900 0.21180400 0.78698300 1.0 O O37 1 0.74625500 0.46007900 0.78342500 1.0 O O38 1 0.74755100 0.13277200 0.15064400 1.0 O O39 1 0.74966500 0.16710600 0.38577800 1.0 O O40 1 0.50604800 0.29045400 0.58807300 1.0 O O41 1 0.50181700 0.04397500 0.59390100 1.0 O O42 1 0.49661700 0.29576900 0.97292700 1.0 O O43 1 0.74927900 0.77843600 0.11834700 1.0 O O44 1 0.74945600 0.53955100 0.11630900 1.0 O O45 1 0.74924500 0.85939300 0.74121500 1.0 O O46 1 0.75008900 0.82744700 0.50338700 1.0 O O47 1 0.59454600 0.01614100 0.94275800 1.0 O O48 1 0.93090300 0.02470500 0.94111500 1.0 O O49 1 0.44844800 0.32427800 0.23165900 1.0