# generated using pymatgen data_Sr16Fe16O47 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.07842735 _cell_length_b 11.07842735 _cell_length_c 11.07842735 _cell_angle_alpha 120.06285854 _cell_angle_beta 120.06285854 _cell_angle_gamma 89.89116026 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr16Fe16O47 _chemical_formula_sum 'Sr16 Fe16 O47' _cell_volume 960.51836592 _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 Sr Sr0 1 0.74095400 0.00000000 0.74095400 1.0 Sr Sr1 1 0.25904600 0.00000000 0.25904600 1.0 Sr Sr2 1 0.25115300 0.99961800 0.74846500 1.0 Sr Sr3 1 0.74884700 0.00038200 0.25153500 1.0 Sr Sr4 1 0.25115300 0.50268800 0.25153500 1.0 Sr Sr5 1 0.50268800 0.25115300 0.25153500 1.0 Sr Sr6 1 0.74882200 0.50000000 0.24882200 1.0 Sr Sr7 1 0.74884700 0.49731200 0.74846500 1.0 Sr Sr8 1 0.00000000 0.25904600 0.25904600 1.0 Sr Sr9 1 0.99961800 0.25115300 0.74846500 1.0 Sr Sr10 1 0.00000000 0.74095400 0.74095400 1.0 Sr Sr11 1 0.25117800 0.50000000 0.75117800 1.0 Sr Sr12 1 0.50000000 0.25117800 0.75117800 1.0 Sr Sr13 1 0.49731200 0.74884700 0.74846500 1.0 Sr Sr14 1 0.50000000 0.74882200 0.24882200 1.0 Sr Sr15 1 0.00038200 0.74884700 0.25153500 1.0 Fe Fe16 1 0.37462300 0.87462300 0.50000000 1.0 Fe Fe17 1 0.86630100 0.86630100 0.00000000 1.0 Fe Fe18 1 0.87442700 0.37458200 0.00000000 1.0 Fe Fe19 1 0.13369900 0.13369900 0.00000000 1.0 Fe Fe20 1 0.37458200 0.87442700 0.00000000 1.0 Fe Fe21 1 0.37698900 0.37698900 0.00000000 1.0 Fe Fe22 1 0.37458200 0.37458200 0.50015500 1.0 Fe Fe23 1 0.62541800 0.12557300 0.00000000 1.0 Fe Fe24 1 0.62537700 0.12537700 0.50000000 1.0 Fe Fe25 1 0.87442700 0.87442700 0.49984500 1.0 Fe Fe26 1 0.62541800 0.62541800 0.49984500 1.0 Fe Fe27 1 0.87462300 0.37462300 0.50000000 1.0 Fe Fe28 1 0.12557300 0.12557300 0.50015500 1.0 Fe Fe29 1 0.12557300 0.62541800 0.00000000 1.0 Fe Fe30 1 0.12537700 0.62537700 0.50000000 1.0 Fe Fe31 1 0.62301100 0.62301100 0.00000000 1.0 O O32 1 0.99736700 0.99736700 0.76113100 1.0 O O33 1 0.99736700 0.23623600 0.00000000 1.0 O O34 1 0.23623600 0.99736700 0.00000000 1.0 O O35 1 0.50000000 0.00000000 0.50000000 1.0 O O36 1 0.23623600 0.23623600 0.23886900 1.0 O O37 1 0.50000000 0.00000000 0.00000000 1.0 O O38 1 0.25273000 0.25273000 0.00000000 1.0 O O39 1 0.49914900 0.99867500 0.74839700 1.0 O O40 1 0.50085100 0.00132500 0.25160300 1.0 O O41 1 0.49879300 0.25209500 0.00000000 1.0 O O42 1 0.50085100 0.24924800 0.49952600 1.0 O O43 1 0.76376400 0.00263300 0.00000000 1.0 O O44 1 0.74972100 0.00132500 0.50047400 1.0 O O45 1 0.75075200 0.25027900 0.25160300 1.0 O O46 1 0.75000000 0.25000000 0.50000000 1.0 O O47 1 0.00000000 0.00000000 0.50000000 1.0 O O48 1 0.49879300 0.49879300 0.24669800 1.0 O O49 1 0.74932100 0.25067900 0.00000000 1.0 O O50 1 0.00263300 0.00263300 0.23886900 1.0 O O51 1 0.74972100 0.24924800 0.74839700 1.0 O O52 1 0.50000000 0.50000000 0.50000000 1.0 O O53 1 0.75075200 0.49914900 0.50047400 1.0 O O54 1 0.99867500 0.25027900 0.49952600 1.0 O O55 1 0.25027900 0.99867500 0.49952600 1.0 O O56 1 0.49914900 0.75075200 0.50047400 1.0 O O57 1 0.00132500 0.50085100 0.25160300 1.0 O O58 1 0.99867500 0.49914900 0.74839700 1.0 O O59 1 0.25209500 0.25209500 0.75330200 1.0 O O60 1 0.00000000 0.50000000 0.50000000 1.0 O O61 1 0.25067900 0.25067900 0.50135800 1.0 O O62 1 0.00000000 0.50000000 0.00000000 1.0 O O63 1 0.74932100 0.74932100 0.49864200 1.0 O O64 1 0.76376400 0.76376400 0.76113100 1.0 O O65 1 0.00132500 0.74972100 0.50047400 1.0 O O66 1 0.00263300 0.76376400 0.00000000 1.0 O O67 1 0.25209500 0.49879300 0.00000000 1.0 O O68 1 0.24924800 0.50085100 0.49952600 1.0 O O69 1 0.50120700 0.50120700 0.75330200 1.0 O O70 1 0.50000000 0.50000000 0.00000000 1.0 O O71 1 0.25000000 0.75000000 0.50000000 1.0 O O72 1 0.24924800 0.74972100 0.74839700 1.0 O O73 1 0.25027900 0.75075200 0.25160300 1.0 O O74 1 0.25067900 0.74932100 0.00000000 1.0 O O75 1 0.50120700 0.74790500 0.00000000 1.0 O O76 1 0.74790500 0.50120700 0.00000000 1.0 O O77 1 0.74727000 0.74727000 0.00000000 1.0 O O78 1 0.74790500 0.74790500 0.24669800 1.0