# generated using pymatgen data_Li2TiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91507500 _cell_length_b 5.91741812 _cell_length_c 13.22258274 _cell_angle_alpha 102.86810926 _cell_angle_beta 102.60669551 _cell_angle_gamma 90.71761294 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TiO3 _chemical_formula_sum 'Li16 Ti8 O24' _cell_volume 439.40535121 _cell_formula_units_Z 8 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 Li Li0 1 0.62322800 0.87646200 0.75160700 1.0 Li Li1 1 0.13272400 0.37533400 0.58212300 1.0 Li Li2 1 0.62988700 0.87061000 0.41393200 1.0 Li Li3 1 0.62715100 0.37373500 0.75019200 1.0 Li Li4 1 0.12102600 0.37631800 0.25239600 1.0 Li Li5 1 0.12384500 0.87160500 0.58306500 1.0 Li Li6 1 0.62665900 0.38327700 0.41460800 1.0 Li Li7 1 0.63049400 0.87789200 0.08147400 1.0 Li Li8 1 0.12304900 0.87894500 0.08376800 1.0 Li Li9 1 0.13114100 0.38160000 0.91271300 1.0 Li Li10 1 0.11104200 0.87205000 0.25219600 1.0 Li Li11 1 0.62679200 0.87676300 0.25005400 1.0 Li Li12 1 0.12101900 0.87449400 0.75104900 1.0 Li Li13 1 0.14105900 0.88031200 0.91255400 1.0 Li Li14 1 0.62806100 0.87857000 0.91488300 1.0 Li Li15 1 0.13269900 0.88206700 0.41203200 1.0 Ti Ti16 1 0.63237700 0.37294100 0.25757700 1.0 Ti Ti17 1 0.61885700 0.37897300 0.90901000 1.0 Ti Ti18 1 0.62562300 0.37507100 0.08332800 1.0 Ti Ti19 1 0.12665100 0.38035000 0.08275800 1.0 Ti Ti20 1 0.63076400 0.37606200 0.58348000 1.0 Ti Ti21 1 0.10773500 0.34729400 0.75723100 1.0 Ti Ti22 1 0.62342800 0.87922000 0.58166100 1.0 Ti Ti23 1 0.14644600 0.40752200 0.40818100 1.0 O O24 1 0.84881700 0.62490700 0.58230000 1.0 O O25 1 0.37535600 0.14861900 0.40775200 1.0 O O26 1 0.86096700 0.61320900 0.24708500 1.0 O O27 1 0.86357200 0.13343000 0.58023700 1.0 O O28 1 0.87647700 0.15604400 0.08336600 1.0 O O29 1 0.35453600 0.60626700 0.41812400 1.0 O O30 1 0.37496100 0.14783500 0.08079700 1.0 O O31 1 0.37668000 0.60316600 0.92442800 1.0 O O32 1 0.84713300 0.59643400 0.92942200 1.0 O O33 1 0.87580900 0.15164000 0.24159100 1.0 O O34 1 0.90037700 0.15059400 0.74649700 1.0 O O35 1 0.37788200 0.15046900 0.74131000 1.0 O O36 1 0.87639300 0.60697100 0.08541100 1.0 O O37 1 0.37510200 0.59896500 0.08288300 1.0 O O38 1 0.39026700 0.14187300 0.91899900 1.0 O O39 1 0.38998200 0.61843400 0.58518400 1.0 O O40 1 0.88027000 0.15252000 0.90780400 1.0 O O41 1 0.86685700 0.11682400 0.42873000 1.0 O O42 1 0.87617600 0.60497500 0.75846600 1.0 O O43 1 0.38523400 0.63465200 0.73641800 1.0 O O44 1 0.40477100 0.12609300 0.58296200 1.0 O O45 1 0.37165700 0.60106800 0.25816700 1.0 O O46 1 0.87512400 0.60059000 0.42452700 1.0 O O47 1 0.40451100 0.15767100 0.23734900 1.0