# generated using pymatgen data_Ti15NbO32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.64624200 _cell_length_b 7.64624200 _cell_length_c 9.69394600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti15NbO32 _chemical_formula_sum 'Ti15 Nb1 O32' _cell_volume 566.75671500 _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 Ti Ti0 1 0.75163900 0.75163900 0.00000000 1.0 Ti Ti1 1 0.75163900 0.24836100 0.00000000 1.0 Ti Ti2 1 0.24836100 0.75163900 0.00000000 1.0 Ti Ti3 1 0.24836100 0.24836100 0.00000000 1.0 Ti Ti4 1 0.50000000 0.75482700 0.75635300 1.0 Ti Ti5 1 0.50000000 0.24517300 0.75635300 1.0 Ti Ti6 1 0.00000000 0.75080900 0.74973700 1.0 Ti Ti7 1 0.00000000 0.24919100 0.74973700 1.0 Ti Ti8 1 0.50000000 0.00000000 0.49732100 1.0 Ti Ti9 1 0.00000000 0.50000000 0.50267900 1.0 Ti Ti10 1 0.00000000 0.00000000 0.50000000 1.0 Ti Ti11 1 0.75482700 0.50000000 0.24364700 1.0 Ti Ti12 1 0.75080900 0.00000000 0.25026300 1.0 Ti Ti13 1 0.24517300 0.50000000 0.24364700 1.0 Ti Ti14 1 0.24919100 0.00000000 0.25026300 1.0 Nb Nb15 1 0.50000000 0.50000000 0.50000000 1.0 O O16 1 0.50000000 0.75011800 0.95705400 1.0 O O17 1 0.50000000 0.24988200 0.95705400 1.0 O O18 1 0.00000000 0.74977800 0.95708600 1.0 O O19 1 0.00000000 0.25022200 0.95708600 1.0 O O20 1 0.50000000 0.50000000 0.70977900 1.0 O O21 1 0.50000000 0.00000000 0.70775200 1.0 O O22 1 0.00000000 0.50000000 0.70673900 1.0 O O23 1 0.00000000 0.00000000 0.70711600 1.0 O O24 1 0.75011800 0.50000000 0.04294600 1.0 O O25 1 0.74977800 0.00000000 0.04291400 1.0 O O26 1 0.24988200 0.50000000 0.04294600 1.0 O O27 1 0.25022200 0.00000000 0.04291400 1.0 O O28 1 0.75010000 0.74976200 0.79299700 1.0 O O29 1 0.75010000 0.25023800 0.79299700 1.0 O O30 1 0.24990000 0.74976200 0.79299700 1.0 O O31 1 0.24990000 0.25023800 0.79299700 1.0 O O32 1 0.75257000 0.50000000 0.45608600 1.0 O O33 1 0.74977900 0.00000000 0.45704800 1.0 O O34 1 0.24743000 0.50000000 0.45608600 1.0 O O35 1 0.25022100 0.00000000 0.45704800 1.0 O O36 1 0.74976200 0.75010000 0.20700300 1.0 O O37 1 0.74976200 0.24990000 0.20700300 1.0 O O38 1 0.25023800 0.75010000 0.20700300 1.0 O O39 1 0.25023800 0.24990000 0.20700300 1.0 O O40 1 0.50000000 0.75257000 0.54391400 1.0 O O41 1 0.50000000 0.24743000 0.54391400 1.0 O O42 1 0.00000000 0.74977900 0.54295200 1.0 O O43 1 0.00000000 0.25022100 0.54295200 1.0 O O44 1 0.50000000 0.50000000 0.29022100 1.0 O O45 1 0.50000000 0.00000000 0.29326100 1.0 O O46 1 0.00000000 0.50000000 0.29224800 1.0 O O47 1 0.00000000 0.00000000 0.29288400 1.0