# generated using pymatgen data_Li2Ti13O22 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67994716 _cell_length_b 7.67994716 _cell_length_c 14.05668100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.84195336 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Ti13O22 _chemical_formula_sum 'Li4 Ti26 O44' _cell_volume 821.33193176 _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 0.66588900 0.66588900 0.91281900 1.0 Li Li1 1 0.16588900 0.16588900 0.58718100 1.0 Li Li2 1 0.83411100 0.83411100 0.41281900 1.0 Li Li3 1 0.33411100 0.33411100 0.08718100 1.0 Ti Ti4 1 0.05652500 0.79889200 0.17764800 1.0 Ti Ti5 1 0.20110800 0.94347500 0.82235200 1.0 Ti Ti6 1 0.23838200 0.76161800 0.50000000 1.0 Ti Ti7 1 0.07402200 0.56739400 0.65141100 1.0 Ti Ti8 1 0.43260600 0.92597800 0.34858900 1.0 Ti Ti9 1 0.06739400 0.57402200 0.84858900 1.0 Ti Ti10 1 0.42597800 0.93260600 0.15141100 1.0 Ti Ti11 1 0.26161800 0.73838200 0.00000000 1.0 Ti Ti12 1 0.29889200 0.55652500 0.32235200 1.0 Ti Ti13 1 0.44347500 0.70110800 0.67764800 1.0 Ti Ti14 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti15 1 0.33753600 0.33753600 0.83864500 1.0 Ti Ti16 1 0.83753600 0.83753600 0.66135500 1.0 Ti Ti17 1 0.50000000 0.50000000 0.50000000 1.0 Ti Ti18 1 0.66246400 0.66246400 0.16135500 1.0 Ti Ti19 1 0.16246400 0.16246400 0.33864500 1.0 Ti Ti20 1 0.70110800 0.44347500 0.67764800 1.0 Ti Ti21 1 0.55652500 0.29889200 0.32235200 1.0 Ti Ti22 1 0.73838200 0.26161800 0.00000000 1.0 Ti Ti23 1 0.57402200 0.06739400 0.84858900 1.0 Ti Ti24 1 0.93260600 0.42597800 0.15141100 1.0 Ti Ti25 1 0.92597800 0.43260600 0.34858900 1.0 Ti Ti26 1 0.56739400 0.07402200 0.65141100 1.0 Ti Ti27 1 0.76161800 0.23838200 0.50000000 1.0 Ti Ti28 1 0.94347500 0.20110800 0.82235200 1.0 Ti Ti29 1 0.79889200 0.05652500 0.17764800 1.0 O O30 1 0.02506600 0.78210400 0.57866800 1.0 O O31 1 0.21789600 0.97493400 0.42133100 1.0 O O32 1 0.03705700 0.78871700 0.91968000 1.0 O O33 1 0.21128300 0.96294300 0.08032000 1.0 O O34 1 0.10178400 0.59907500 0.09068700 1.0 O O35 1 0.40092500 0.89821600 0.90931300 1.0 O O36 1 0.22480800 0.72480800 0.75000000 1.0 O O37 1 0.27519200 0.77519200 0.25000000 1.0 O O38 1 0.09907500 0.60178400 0.40931300 1.0 O O39 1 0.39821600 0.90092500 0.59068700 1.0 O O40 1 0.11809900 0.37583500 0.75432300 1.0 O O41 1 0.12416500 0.38190100 0.25432300 1.0 O O42 1 0.61809900 0.87583500 0.74567700 1.0 O O43 1 0.62416500 0.88190100 0.24567700 1.0 O O44 1 0.28871700 0.53705700 0.58032000 1.0 O O45 1 0.46294300 0.71128300 0.41968000 1.0 O O46 1 0.28210400 0.52506600 0.92133100 1.0 O O47 1 0.47493400 0.71789600 0.07866900 1.0 O O48 1 0.15550200 0.15550200 0.90439400 1.0 O O49 1 0.49655000 0.49655000 0.75504500 1.0 O O50 1 0.99655000 0.99655000 0.74495500 1.0 O O51 1 0.65550200 0.65550200 0.59560600 1.0 O O52 1 0.34449800 0.34449800 0.40439400 1.0 O O53 1 0.50345000 0.50345000 0.24495500 1.0 O O54 1 0.84449800 0.84449800 0.09560600 1.0 O O55 1 0.00345000 0.00345000 0.25504500 1.0 O O56 1 0.52506600 0.28210400 0.92133100 1.0 O O57 1 0.71789600 0.47493400 0.07866900 1.0 O O58 1 0.53705700 0.28871700 0.58032000 1.0 O O59 1 0.71128300 0.46294300 0.41968000 1.0 O O60 1 0.87583500 0.61809900 0.74567700 1.0 O O61 1 0.88190100 0.62416500 0.24567700 1.0 O O62 1 0.37583500 0.11809900 0.75432300 1.0 O O63 1 0.38190100 0.12416500 0.25432300 1.0 O O64 1 0.90092500 0.39821600 0.59068700 1.0 O O65 1 0.60178400 0.09907500 0.40931300 1.0 O O66 1 0.72480800 0.22480800 0.75000000 1.0 O O67 1 0.77519200 0.27519200 0.25000000 1.0 O O68 1 0.89821600 0.40092500 0.90931300 1.0 O O69 1 0.59907500 0.10178400 0.09068700 1.0 O O70 1 0.78871700 0.03705700 0.91968000 1.0 O O71 1 0.96294300 0.21128300 0.08032000 1.0 O O72 1 0.78210400 0.02506600 0.57866800 1.0 O O73 1 0.97493400 0.21789600 0.42133100 1.0