# generated using pymatgen data_Li3Ti6Co3O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.45530100 _cell_length_b 8.45390100 _cell_length_c 8.45631165 _cell_angle_alpha 89.95463799 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Ti6Co3O16 _chemical_formula_sum 'Li6 Ti12 Co6 O32' _cell_volume 604.45931462 _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 Li Li0 1 0.99778700 0.00182400 0.75147500 1.0 Li Li1 1 0.87505500 0.87504500 0.37467000 1.0 Li Li2 1 0.12500200 0.62488300 0.87485400 1.0 Li Li3 1 0.62500200 0.37511700 0.12514600 1.0 Li Li4 1 0.37505500 0.12495500 0.62533000 1.0 Li Li5 1 0.49778700 0.99817600 0.24852500 1.0 Ti Ti6 1 0.12163100 0.86995700 0.11968800 1.0 Ti Ti7 1 0.62739300 0.88414300 0.61479400 1.0 Ti Ti8 1 0.36600400 0.87595300 0.86992900 1.0 Ti Ti9 1 0.37636800 0.62139600 0.12050900 1.0 Ti Ti10 1 0.63044400 0.62759600 0.36907700 1.0 Ti Ti11 1 0.88103600 0.63548200 0.62571900 1.0 Ti Ti12 1 0.13044400 0.37240400 0.63092300 1.0 Ti Ti13 1 0.38103600 0.36451800 0.37428100 1.0 Ti Ti14 1 0.87636800 0.37860400 0.87949100 1.0 Ti Ti15 1 0.12739300 0.11585700 0.38520600 1.0 Ti Ti16 1 0.62163100 0.13004300 0.88031200 1.0 Ti Ti17 1 0.86600400 0.12404700 0.13007100 1.0 Co Co18 1 0.25200600 0.74814100 0.49918900 1.0 Co Co19 1 0.74913500 0.75128700 0.99769700 1.0 Co Co20 1 0.50037000 0.50109300 0.74855800 1.0 Co Co21 1 0.00037000 0.49890700 0.25144200 1.0 Co Co22 1 0.24913500 0.24871300 0.00230300 1.0 Co Co23 1 0.75200600 0.25185900 0.50081100 1.0 O O24 1 0.39061000 0.87207800 0.64282800 1.0 O O25 1 0.36044000 0.86048600 0.11001300 1.0 O O26 1 0.85725500 0.85609300 0.62592400 1.0 O O27 1 0.89237600 0.89011000 0.12249100 1.0 O O28 1 0.62342200 0.85802000 0.39488400 1.0 O O29 1 0.12740400 0.89231500 0.36034600 1.0 O O30 1 0.14387700 0.87619900 0.89095700 1.0 O O31 1 0.61249500 0.88865200 0.86232100 1.0 O O32 1 0.10738800 0.61046100 0.62228900 1.0 O O33 1 0.13850100 0.64290100 0.12838500 1.0 O O34 1 0.38690500 0.61380000 0.36277100 1.0 O O35 1 0.37783700 0.63946000 0.89168400 1.0 O O36 1 0.63740000 0.63677400 0.61354400 1.0 O O37 1 0.85854900 0.62121200 0.38980700 1.0 O O38 1 0.61113300 0.62873400 0.14073200 1.0 O O39 1 0.87217700 0.60756400 0.86032600 1.0 O O40 1 0.13740000 0.36322600 0.38645600 1.0 O O41 1 0.35854900 0.37878800 0.61019300 1.0 O O42 1 0.37217700 0.39243600 0.13967400 1.0 O O43 1 0.60738800 0.38953900 0.37771100 1.0 O O44 1 0.11113300 0.37126600 0.85926800 1.0 O O45 1 0.63850100 0.35709900 0.87161500 1.0 O O46 1 0.88690500 0.38620000 0.63722900 1.0 O O47 1 0.87783700 0.36054000 0.10831600 1.0 O O48 1 0.12342200 0.14198000 0.60511600 1.0 O O49 1 0.11249500 0.11134800 0.13767900 1.0 O O50 1 0.35725500 0.14390700 0.37407600 1.0 O O51 1 0.62740400 0.10768500 0.63965400 1.0 O O52 1 0.64387700 0.12380100 0.10904300 1.0 O O53 1 0.39237600 0.10989000 0.87750900 1.0 O O54 1 0.89061000 0.12792200 0.35717200 1.0 O O55 1 0.86044000 0.13951400 0.88998700 1.0