# generated using pymatgen data_KTi16O32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.53623400 _cell_length_b 8.53661754 _cell_length_c 10.41363398 _cell_angle_alpha 112.04458011 _cell_angle_beta 102.64098497 _cell_angle_gamma 105.95426673 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTi16O32 _chemical_formula_sum 'K1 Ti16 O32' _cell_volume 630.58794938 _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 K K0 1 0.50000000 0.00000000 0.50000000 1.0 Ti Ti1 1 0.17876900 0.51767400 0.00310900 1.0 Ti Ti2 1 0.42752700 0.01678900 0.75382000 1.0 Ti Ti3 1 0.41383800 0.59792500 0.11025200 1.0 Ti Ti4 1 0.83461300 0.90138000 0.64047700 1.0 Ti Ti5 1 0.58616200 0.40207500 0.88974800 1.0 Ti Ti6 1 0.09298900 0.40695300 0.38825500 1.0 Ti Ti7 1 0.82123100 0.48232600 0.99689100 1.0 Ti Ti8 1 0.06644000 0.98242900 0.74953100 1.0 Ti Ti9 1 0.67874300 0.51718000 0.50336500 1.0 Ti Ti10 1 0.93356000 0.01757100 0.25046900 1.0 Ti Ti11 1 0.16538700 0.09862000 0.35952300 1.0 Ti Ti12 1 0.66180000 0.09622500 0.86110900 1.0 Ti Ti13 1 0.90701100 0.59304700 0.61174500 1.0 Ti Ti14 1 0.33820000 0.90377500 0.13889100 1.0 Ti Ti15 1 0.32125700 0.48282000 0.49663500 1.0 Ti Ti16 1 0.57247300 0.98321100 0.24618000 1.0 O O17 1 0.08350500 0.69786200 0.96824700 1.0 O O18 1 0.37804700 0.70842500 0.99804100 1.0 O O19 1 0.26541900 0.31614300 0.02994600 1.0 O O20 1 0.76483900 0.31484500 0.52965100 1.0 O O21 1 0.51557500 0.81584000 0.78017600 1.0 O O22 1 0.73458100 0.68385700 0.97005400 1.0 O O23 1 0.60764600 0.53696900 0.75733800 1.0 O O24 1 0.35843500 0.03749800 0.00707100 1.0 O O25 1 0.85515900 0.03593600 0.50773300 1.0 O O26 1 0.10343700 0.53315000 0.25918400 1.0 O O27 1 0.87561200 0.79344400 0.75040200 1.0 O O28 1 0.12257300 0.29181500 0.50171200 1.0 O O29 1 0.62195300 0.29157500 0.00195900 1.0 O O30 1 0.33317600 0.19783600 0.71849500 1.0 O O31 1 0.58226800 0.69876800 0.46908800 1.0 O O32 1 0.83106800 0.19631400 0.22049500 1.0 O O33 1 0.16893200 0.80368600 0.77950500 1.0 O O34 1 0.41773200 0.30123200 0.53091200 1.0 O O35 1 0.91649500 0.30213800 0.03175300 1.0 O O36 1 0.87742700 0.70818500 0.49828800 1.0 O O37 1 0.12438800 0.20655600 0.24959800 1.0 O O38 1 0.62769900 0.20800200 0.74836900 1.0 O O39 1 0.14484100 0.96406400 0.49226700 1.0 O O40 1 0.64156500 0.96250200 0.99292900 1.0 O O41 1 0.89656300 0.46685000 0.74081600 1.0 O O42 1 0.39235400 0.46303100 0.24266200 1.0 O O43 1 0.01490400 0.81507300 0.28026000 1.0 O O44 1 0.98509600 0.18492700 0.71974000 1.0 O O45 1 0.48442500 0.18416000 0.21982400 1.0 O O46 1 0.23516100 0.68515500 0.47034900 1.0 O O47 1 0.37230100 0.79199800 0.25163100 1.0 O O48 1 0.66682400 0.80216400 0.28150500 1.0