# generated using pymatgen data_Y16Ti16O35 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.04152500 _cell_length_b 7.05770058 _cell_length_c 23.29404817 _cell_angle_alpha 82.48316008 _cell_angle_beta 81.87727669 _cell_angle_gamma 60.32150211 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y16Ti16O35 _chemical_formula_sum 'Y16 Ti16 O35' _cell_volume 993.19507444 _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 Y Y0 1 0.99115500 0.00084800 0.00187600 1.0 Y Y1 1 0.62573800 0.11958200 0.12498300 1.0 Y Y2 1 0.23641300 0.25624100 0.24867300 1.0 Y Y3 1 0.76035400 0.24989000 0.25080700 1.0 Y Y4 1 0.88858800 0.37105700 0.37211200 1.0 Y Y5 1 0.76315100 0.73679700 0.24656800 1.0 Y Y6 1 0.50217800 0.50839900 0.49907200 1.0 Y Y7 1 0.14950600 0.61214100 0.62225500 1.0 Y Y8 1 0.01933200 0.50411700 0.49826300 1.0 Y Y9 1 0.02314500 0.98927300 0.50187100 1.0 Y Y10 1 0.74447600 0.74534200 0.75222300 1.0 Y Y11 1 0.27481000 0.73500400 0.74819700 1.0 Y Y12 1 0.39412800 0.85875600 0.87241400 1.0 Y Y13 1 0.25326000 0.24095600 0.75018100 1.0 Y Y14 1 0.50790400 0.99039000 0.00094300 1.0 Y Y15 1 0.49574400 0.48870300 0.99564300 1.0 Ti Ti16 1 0.12140600 0.13288500 0.12498800 1.0 Ti Ti17 1 0.64658400 0.60946100 0.12384600 1.0 Ti Ti18 1 0.36839300 0.39484700 0.37054000 1.0 Ti Ti19 1 0.24515900 0.74403600 0.25529300 1.0 Ti Ti20 1 0.11533300 0.60326900 0.12113000 1.0 Ti Ti21 1 0.92006600 0.86248800 0.36129200 1.0 Ti Ti22 1 0.60166700 0.64968500 0.62326800 1.0 Ti Ti23 1 0.48569500 0.00576900 0.50580700 1.0 Ti Ti24 1 0.37037700 0.87299700 0.37087600 1.0 Ti Ti25 1 0.19235300 0.05490900 0.62508200 1.0 Ti Ti26 1 0.84967200 0.89292900 0.87615700 1.0 Ti Ti27 1 0.74969700 0.25645800 0.75646200 1.0 Ti Ti28 1 0.61503000 0.11955300 0.62876300 1.0 Ti Ti29 1 0.44338000 0.29322800 0.87364600 1.0 Ti Ti30 1 0.00484900 0.49007200 0.00056000 1.0 Ti Ti31 1 0.85994100 0.36170500 0.86938800 1.0 O O32 1 0.65125500 0.15773000 0.03232400 1.0 O O33 1 0.80043100 0.75131600 0.14739800 1.0 O O34 1 0.54553400 0.61152600 0.21582100 1.0 O O35 1 0.43176800 0.52766800 0.10537700 1.0 O O36 1 0.13265400 0.60875900 0.21214500 1.0 O O37 1 0.42611900 0.95052200 0.10163900 1.0 O O38 1 0.05133500 0.56316600 0.40108200 1.0 O O39 1 0.12362100 0.04105300 0.20951800 1.0 O O40 1 0.01456400 0.95739200 0.10031400 1.0 O O41 1 0.04994000 0.99384900 0.40287800 1.0 O O42 1 0.78703400 0.87369100 0.48902900 1.0 O O43 1 0.68280100 0.77906500 0.34816600 1.0 O O44 1 0.40106400 0.84941100 0.46006000 1.0 O O45 1 0.58775600 0.09674100 0.22279000 1.0 O O46 1 0.68373900 0.19386000 0.34857200 1.0 O O47 1 0.40119900 0.29738400 0.46254200 1.0 O O48 1 0.17036600 0.16332300 0.54263000 1.0 O O49 1 0.27829800 0.18832300 0.34621000 1.0 O O50 1 0.28938300 0.24755300 0.64758000 1.0 O O51 1 0.04540000 0.09511200 0.71621900 1.0 O O52 1 0.93415100 0.99041300 0.60607700 1.0 O O53 1 0.63893300 0.08912200 0.71033300 1.0 O O54 1 0.87935300 0.58499700 0.59183100 1.0 O O55 1 0.63770700 0.53911900 0.70624800 1.0 O O56 1 0.53446100 0.42663600 0.59894300 1.0 O O57 1 0.43639600 0.38923200 0.79113300 1.0 O O58 1 0.53885700 0.49159200 0.89408800 1.0 O O59 1 0.29542200 0.34571200 0.96019900 1.0 O O60 1 0.18291000 0.23537800 0.85562800 1.0 O O61 1 0.87226400 0.36688400 0.96360000 1.0 O O62 1 0.12156900 0.83794200 0.83854200 1.0 O O63 1 0.08533600 0.59924500 0.71839500 1.0 O O64 1 0.87510300 0.78785800 0.95959400 1.0 O O65 1 0.78120300 0.68193900 0.85104900 1.0 O O66 1 0.33633800 0.84484900 0.96801500 1.0