# generated using pymatgen data_Li6Ti9O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97374389 _cell_length_b 5.97374389 _cell_length_c 24.69447778 _cell_angle_alpha 83.10688743 _cell_angle_beta 83.10688743 _cell_angle_gamma 60.01657020 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li6Ti9O20 _chemical_formula_sum 'Li12 Ti18 O40' _cell_volume 755.93498636 _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 0.97135300 0.97135300 0.07406500 1.0 Li Li1 1 0.22441100 0.22441100 0.32602100 1.0 Li Li2 1 0.63067900 0.63067900 0.12233400 1.0 Li Li3 1 0.17568200 0.17568200 0.47334700 1.0 Li Li4 1 0.57297200 0.57297200 0.27472800 1.0 Li Li5 1 0.50000000 0.50000000 0.50000000 1.0 Li Li6 1 0.82431800 0.82431800 0.52665300 1.0 Li Li7 1 0.42702800 0.42702800 0.72527200 1.0 Li Li8 1 0.02864700 0.02864700 0.92593500 1.0 Li Li9 1 0.77558900 0.77558900 0.67397900 1.0 Li Li10 1 0.36932100 0.36932100 0.87766600 1.0 Li Li11 1 0.50000000 0.50000000 0.00000000 1.0 Ti Ti12 1 0.09563600 0.59829700 0.20066800 1.0 Ti Ti13 1 0.31236600 0.31236600 0.09597200 1.0 Ti Ti14 1 0.10099200 0.10099200 0.19876300 1.0 Ti Ti15 1 0.59829700 0.09563600 0.20066800 1.0 Ti Ti16 1 0.69577000 0.69577000 0.40217600 1.0 Ti Ti17 1 0.20639300 0.69255800 0.40217400 1.0 Ti Ti18 1 0.30744200 0.79360700 0.59782600 1.0 Ti Ti19 1 0.09808000 0.09808000 0.69827800 1.0 Ti Ti20 1 0.90192000 0.90192000 0.30172200 1.0 Ti Ti21 1 0.69255800 0.20639300 0.40217400 1.0 Ti Ti22 1 0.79360700 0.30744200 0.59782600 1.0 Ti Ti23 1 0.30423000 0.30423000 0.59782400 1.0 Ti Ti24 1 0.00000000 0.50000000 0.00000000 1.0 Ti Ti25 1 0.89900800 0.89900800 0.80123700 1.0 Ti Ti26 1 0.40170300 0.90436400 0.79933200 1.0 Ti Ti27 1 0.90436400 0.40170300 0.79933200 1.0 Ti Ti28 1 0.68763400 0.68763400 0.90402800 1.0 Ti Ti29 1 0.50000000 0.00000000 0.00000000 1.0 O O30 1 0.98402900 0.43000600 0.15398300 1.0 O O31 1 0.43279400 0.43279400 0.15285300 1.0 O O32 1 0.03301200 0.58680900 0.35162000 1.0 O O33 1 0.43000600 0.98402900 0.15398300 1.0 O O34 1 0.25237200 0.25237200 0.24306900 1.0 O O35 1 0.21597100 0.76829500 0.24766200 1.0 O O36 1 0.76726600 0.76726600 0.24790600 1.0 O O37 1 0.58680900 0.03301200 0.35162000 1.0 O O38 1 0.03109100 0.03109100 0.35213900 1.0 O O39 1 0.36550600 0.82793900 0.44264300 1.0 O O40 1 0.94671400 0.94671400 0.15810500 1.0 O O41 1 0.54781100 0.54781100 0.35699600 1.0 O O42 1 0.76829500 0.21597100 0.24766200 1.0 O O43 1 0.14775700 0.14775700 0.55669500 1.0 O O44 1 0.82793900 0.36550600 0.44264300 1.0 O O45 1 0.36447600 0.36447600 0.44227200 1.0 O O46 1 0.17206100 0.63449400 0.55735700 1.0 O O47 1 0.63552400 0.63552400 0.55772800 1.0 O O48 1 0.23170500 0.78402900 0.75233800 1.0 O O49 1 0.63449400 0.17206100 0.55735700 1.0 O O50 1 0.45218900 0.45218900 0.64300400 1.0 O O51 1 0.85224300 0.85224300 0.44330500 1.0 O O52 1 0.05328600 0.05328600 0.84189500 1.0 O O53 1 0.96890900 0.96890900 0.64786100 1.0 O O54 1 0.41319100 0.96698800 0.64838000 1.0 O O55 1 0.56720600 0.56720600 0.84714700 1.0 O O56 1 0.01597100 0.56999400 0.84601700 1.0 O O57 1 0.78402900 0.23170500 0.75233800 1.0 O O58 1 0.23273400 0.23273400 0.75209400 1.0 O O59 1 0.74762800 0.74762800 0.75693100 1.0 O O60 1 0.33616800 0.33616800 0.95932800 1.0 O O61 1 0.15287000 0.61249200 0.05104600 1.0 O O62 1 0.56999400 0.01597100 0.84601700 1.0 O O63 1 0.96698800 0.41319100 0.64838000 1.0 O O64 1 0.61249200 0.15287000 0.05104600 1.0 O O65 1 0.16547800 0.16547800 0.04851900 1.0 O O66 1 0.83452200 0.83452200 0.95148100 1.0 O O67 1 0.38750800 0.84713000 0.94895400 1.0 O O68 1 0.84713000 0.38750800 0.94895400 1.0 O O69 1 0.66383200 0.66383200 0.04067200 1.0