# generated using pymatgen data_Tm5Ti5O17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80225400 _cell_length_b 5.42297000 _cell_length_c 31.87211800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5Ti5O17 _chemical_formula_sum 'Tm10 Ti10 O34' _cell_volume 657.18743588 _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 Tm Tm0 1 0.00000000 0.18215400 0.01918500 1.0 Tm Tm1 1 0.00000000 0.74288500 0.69786200 1.0 Tm Tm2 1 0.00000000 0.26976500 0.79297200 1.0 Tm Tm3 1 0.00000000 0.32061600 0.56827400 1.0 Tm Tm4 1 0.00000000 0.79392100 0.89133800 1.0 Tm Tm5 1 0.50000000 0.25711500 0.19786200 1.0 Tm Tm6 1 0.50000000 0.81784600 0.51918500 1.0 Tm Tm7 1 0.50000000 0.73023500 0.29297200 1.0 Tm Tm8 1 0.50000000 0.67938400 0.06827400 1.0 Tm Tm9 1 0.50000000 0.20607900 0.39133800 1.0 Ti Ti10 1 0.00000000 0.75231800 0.20625900 1.0 Ti Ti11 1 0.00000000 0.25785900 0.29712100 1.0 Ti Ti12 1 0.00000000 0.76055000 0.38176100 1.0 Ti Ti13 1 0.00000000 0.28428400 0.46837100 1.0 Ti Ti14 1 0.50000000 0.77288100 0.61934100 1.0 Ti Ti15 1 0.50000000 0.24768200 0.70625900 1.0 Ti Ti16 1 0.50000000 0.74214100 0.79712100 1.0 Ti Ti17 1 0.50000000 0.23945000 0.88176100 1.0 Ti Ti18 1 0.50000000 0.71571600 0.96837100 1.0 Ti Ti19 1 0.00000000 0.22711900 0.11934100 1.0 O O20 1 0.00000000 0.18629900 0.71801100 1.0 O O21 1 0.00000000 0.68859800 0.79790200 1.0 O O22 1 0.00000000 0.19789900 0.87045300 1.0 O O23 1 0.00000000 0.45769100 0.07030700 1.0 O O24 1 0.00000000 0.96107100 0.08105600 1.0 O O25 1 0.00000000 0.74648100 0.96296900 1.0 O O26 1 0.00000000 0.54226700 0.16260400 1.0 O O27 1 0.00000000 0.07092400 0.17626300 1.0 O O28 1 0.00000000 0.95916300 0.26872400 1.0 O O29 1 0.00000000 0.45172800 0.24189000 1.0 O O30 1 0.50000000 0.87883000 0.85167100 1.0 O O31 1 0.50000000 0.39041800 0.82495500 1.0 O O32 1 0.50000000 0.44755400 0.00830700 1.0 O O33 1 0.50000000 0.94813100 0.01756600 1.0 O O34 1 0.50000000 0.01320000 0.92741100 1.0 O O35 1 0.50000000 0.53267200 0.91221800 1.0 O O36 1 0.50000000 0.27682300 0.12625800 1.0 O O37 1 0.50000000 0.81370100 0.21801100 1.0 O O38 1 0.50000000 0.31140200 0.29790200 1.0 O O39 1 0.50000000 0.80210100 0.37045300 1.0 O O40 1 0.50000000 0.25351900 0.46296900 1.0 O O41 1 0.50000000 0.54230900 0.57030700 1.0 O O42 1 0.50000000 0.03892900 0.58105600 1.0 O O43 1 0.50000000 0.45773300 0.66260400 1.0 O O44 1 0.50000000 0.92907600 0.67626300 1.0 O O45 1 0.50000000 0.54827200 0.74189000 1.0 O O46 1 0.50000000 0.04083700 0.76872400 1.0 O O47 1 0.00000000 0.12117000 0.35167100 1.0 O O48 1 0.00000000 0.60958200 0.32495500 1.0 O O49 1 0.00000000 0.98680000 0.42741100 1.0 O O50 1 0.00000000 0.46732800 0.41221800 1.0 O O51 1 0.00000000 0.55244600 0.50830700 1.0 O O52 1 0.00000000 0.05186900 0.51756600 1.0 O O53 1 0.00000000 0.72317700 0.62625800 1.0