# generated using pymatgen data_KTi6O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.46339364 _cell_length_b 8.46338296 _cell_length_c 8.46314776 _cell_angle_alpha 106.01012741 _cell_angle_beta 106.00150864 _cell_angle_gamma 116.65044129 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTi6O12 _chemical_formula_sum 'K2 Ti12 O24' _cell_volume 461.09199216 _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 K K0 1 0.71760498 0.71760040 0.00003828 1.0 K K1 1 0.28239079 0.28242870 0.00000421 1.0 Ti Ti2 1 0.66799141 0.15177788 0.81976637 1.0 Ti Ti3 1 0.81718333 0.00061232 0.48544537 1.0 Ti Ti4 1 0.18282470 -0.00060996 0.51455851 1.0 Ti Ti5 1 0.51516109 0.33172545 0.51455513 1.0 Ti Ti6 1 0.66826563 0.18278288 0.18338888 1.0 Ti Ti7 1 0.33201104 0.84821690 0.18022805 1.0 Ti Ti8 1 0.33172609 0.81720550 0.81661185 1.0 Ti Ti9 1 -0.00059802 0.48488421 0.81660401 1.0 Ti Ti10 1 0.15174304 0.33200890 0.48375754 1.0 Ti Ti11 1 0.48484064 0.66826847 0.48544589 1.0 Ti Ti12 1 0.84826884 0.66798326 0.51624446 1.0 Ti Ti13 1 0.00061289 0.51512966 0.18339720 1.0 O O14 1 0.62857458 0.99020932 0.95201435 1.0 O O15 1 0.66381414 0.96132515 0.62514044 1.0 O O16 1 0.37209657 0.00017200 0.70651574 1.0 O O17 1 0.70634451 0.33442197 0.70651914 1.0 O O18 1 0.62790209 -0.00018082 0.29347390 1.0 O O19 1 0.67656500 0.62859400 0.63840050 1.0 O O20 1 0.34439797 0.29607629 0.64046912 1.0 O O21 1 0.00979965 0.96183128 0.63839407 1.0 O O22 1 0.33619656 0.03867501 0.37486866 1.0 O O23 1 0.66555090 0.37209327 0.37189566 1.0 O O24 1 0.29605175 0.65560873 0.95166240 1.0 O O25 1 0.96180387 0.32343771 0.95201072 1.0 O O26 1 0.70394323 0.34439222 0.04833133 1.0 O O27 1 0.37143138 0.00979491 0.04798739 1.0 O O28 1 0.00018704 0.29366223 0.62810604 1.0 O O29 1 0.33444382 0.62791787 0.62810527 1.0 O O30 1 0.65558714 0.70392658 0.35952007 1.0 O O31 1 0.99019783 0.03816022 0.36160226 1.0 O O32 1 0.32343826 0.37140329 0.36159517 1.0 O O33 1 0.03866617 0.66379172 0.70245864 1.0 O O34 1 0.96132913 0.33620169 0.29752837 1.0 O O35 1 0.29365438 0.66556750 0.29346917 1.0 O O36 1 -0.00019667 0.70634415 0.37189698 1.0 O O37 1 0.03819425 0.67655913 0.04798888 1.0