# generated using pymatgen data_Li17Ti20O40 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94905800 _cell_length_b 9.59547500 _cell_length_c 25.49598245 _cell_angle_alpha 79.77004451 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li17Ti20O40 _chemical_formula_sum 'Li17 Ti20 O40' _cell_volume 710.00605232 _cell_formula_units_Z 1 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 0.00000000 0.99982600 0.10177000 1.0 Li Li1 1 0.00000000 0.49958300 0.80279400 1.0 Li Li2 1 0.50000000 0.75050100 0.14960600 1.0 Li Li3 1 0.50000000 0.24781700 0.25033700 1.0 Li Li4 1 0.50000000 0.24550700 0.44888200 1.0 Li Li5 1 0.50000000 0.75116500 0.34923100 1.0 Li Li6 1 0.50000000 0.24883500 0.65076900 1.0 Li Li7 1 0.50000000 0.75449300 0.55111800 1.0 Li Li8 1 0.50000000 0.24949900 0.85039400 1.0 Li Li9 1 0.50000000 0.75218300 0.74966300 1.0 Li Li10 1 0.50000000 0.74733900 0.95111200 1.0 Li Li11 1 0.50000000 0.25266100 0.04888800 1.0 Li Li12 1 0.00000000 0.50041700 0.19720600 1.0 Li Li13 1 0.00000000 0.00000000 0.50000000 1.0 Li Li14 1 0.00000000 0.49796400 0.40024900 1.0 Li Li15 1 0.00000000 0.50203600 0.59975100 1.0 Li Li16 1 0.00000000 0.00017400 0.89823000 1.0 Ti Ti17 1 0.00000000 0.25036100 0.14966400 1.0 Ti Ti18 1 0.00000000 0.25407900 0.95081600 1.0 Ti Ti19 1 0.50000000 0.99358700 0.20585200 1.0 Ti Ti20 1 0.50000000 0.99850300 0.39523900 1.0 Ti Ti21 1 0.50000000 0.49983700 0.29906200 1.0 Ti Ti22 1 0.50000000 0.00149700 0.60476100 1.0 Ti Ti23 1 0.50000000 0.50000000 0.50000000 1.0 Ti Ti24 1 0.50000000 0.50016300 0.70093800 1.0 Ti Ti25 1 0.50000000 0.00641300 0.79414800 1.0 Ti Ti26 1 0.50000000 0.49453300 0.90635500 1.0 Ti Ti27 1 0.50000000 0.00000000 0.00000000 1.0 Ti Ti28 1 0.50000000 0.50546700 0.09364500 1.0 Ti Ti29 1 0.00000000 0.75241800 0.25021200 1.0 Ti Ti30 1 0.00000000 0.24364600 0.34900700 1.0 Ti Ti31 1 0.00000000 0.25634300 0.54859600 1.0 Ti Ti32 1 0.00000000 0.24758200 0.74978800 1.0 Ti Ti33 1 0.00000000 0.74365700 0.45140400 1.0 Ti Ti34 1 0.00000000 0.75635400 0.65099300 1.0 Ti Ti35 1 0.00000000 0.74963900 0.85033600 1.0 Ti Ti36 1 0.00000000 0.74592100 0.04918400 1.0 O O37 1 0.00000000 0.37602000 0.47458800 1.0 O O38 1 0.00000000 0.12125200 0.02414200 1.0 O O39 1 0.00000000 0.37922300 0.67659200 1.0 O O40 1 0.00000000 0.62398000 0.52541200 1.0 O O41 1 0.00000000 0.87818400 0.17694300 1.0 O O42 1 0.00000000 0.62372400 0.72460400 1.0 O O43 1 0.00000000 0.37091000 0.07836000 1.0 O O44 1 0.00000000 0.62909000 0.92164000 1.0 O O45 1 0.50000000 0.36179800 0.97564500 1.0 O O46 1 0.50000000 0.37478200 0.17064200 1.0 O O47 1 0.50000000 0.87542100 0.07300100 1.0 O O48 1 0.50000000 0.86159300 0.27474300 1.0 O O49 1 0.50000000 0.37179700 0.37183600 1.0 O O50 1 0.50000000 0.37587400 0.77399400 1.0 O O51 1 0.50000000 0.13346200 0.32563500 1.0 O O52 1 0.50000000 0.87447200 0.47219600 1.0 O O53 1 0.50000000 0.37348000 0.57453000 1.0 O O54 1 0.50000000 0.12552800 0.52780400 1.0 O O55 1 0.50000000 0.86653800 0.67436500 1.0 O O56 1 0.50000000 0.62652000 0.42547000 1.0 O O57 1 0.50000000 0.13840700 0.72525700 1.0 O O58 1 0.50000000 0.87453800 0.87148100 1.0 O O59 1 0.50000000 0.62820300 0.62816400 1.0 O O60 1 0.50000000 0.62521800 0.82935800 1.0 O O61 1 0.50000000 0.12457900 0.92699900 1.0 O O62 1 0.50000000 0.63820200 0.02435500 1.0 O O63 1 0.50000000 0.12546200 0.12851900 1.0 O O64 1 0.50000000 0.62412600 0.22600600 1.0 O O65 1 0.00000000 0.86875200 0.37888800 1.0 O O66 1 0.00000000 0.62235600 0.12249900 1.0 O O67 1 0.00000000 0.37627600 0.27539600 1.0 O O68 1 0.00000000 0.87996200 0.57795700 1.0 O O69 1 0.00000000 0.62077700 0.32340800 1.0 O O70 1 0.00000000 0.87096600 0.77899600 1.0 O O71 1 0.00000000 0.87874800 0.97585800 1.0 O O72 1 0.00000000 0.12903400 0.22100400 1.0 O O73 1 0.00000000 0.12003800 0.42204300 1.0 O O74 1 0.00000000 0.37764400 0.87750100 1.0 O O75 1 0.00000000 0.13124800 0.62111200 1.0 O O76 1 0.00000000 0.12181600 0.82305700 1.0