# generated using pymatgen data_Sr3Ti2RuO9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54228518 _cell_length_b 5.54228465 _cell_length_c 12.37158322 _cell_angle_alpha 77.10523537 _cell_angle_beta 77.10523986 _cell_angle_gamma 90.21331842 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3Ti2RuO9 _chemical_formula_sum 'Sr6 Ti4 Ru2 O18' _cell_volume 360.51847245 _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 Sr Sr0 1 0.41686930 0.91715302 0.16571300 1.0 Sr Sr1 1 0.08284698 0.58313070 0.83428700 1.0 Sr Sr2 1 0.75033648 0.24966352 0.50000000 1.0 Sr Sr3 1 0.58313070 0.08284698 0.83428700 1.0 Sr Sr4 1 0.24966352 0.75033648 0.50000000 1.0 Sr Sr5 1 0.91715302 0.41686930 0.16571300 1.0 Ti Ti6 1 0.50000000 0.50000000 0.00000000 1.0 Ti Ti7 1 0.83381319 0.83381319 0.33233900 1.0 Ti Ti8 1 0.16618681 0.16618681 0.66766100 1.0 Ti Ti9 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru10 1 0.33313835 0.33313835 0.33400609 1.0 Ru Ru11 1 0.66686165 0.66686165 0.66599391 1.0 O O12 1 0.60156602 0.60156602 0.83486395 1.0 O O13 1 0.26840741 0.26840741 0.50028796 1.0 O O14 1 0.93538438 0.93538438 0.16637879 1.0 O O15 1 0.39843398 0.39843398 0.16513605 1.0 O O16 1 0.06461562 0.06461562 0.83362121 1.0 O O17 1 0.73159259 0.73159259 0.49971204 1.0 O O18 1 0.25585845 0.25585845 0.98779252 1.0 O O19 1 0.92438601 0.92438601 0.65414193 1.0 O O20 1 0.59125932 0.59125932 0.32066822 1.0 O O21 1 0.74414155 0.74414155 0.01220748 1.0 O O22 1 0.40874068 0.40874068 0.67933178 1.0 O O23 1 0.07561399 0.07561399 0.34585807 1.0 O O24 1 0.24965290 0.75034710 0.00000000 1.0 O O25 1 0.58491025 0.08204333 0.33323997 1.0 O O26 1 0.91795667 0.41508975 0.66676003 1.0 O O27 1 0.75034710 0.24965290 1.00000000 1.0 O O28 1 0.08204333 0.58491025 0.33323997 1.0 O O29 1 0.41508975 0.91795667 0.66676003 1.0