# generated using pymatgen data_KTi16O32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.53661700 _cell_length_b 8.53623361 _cell_length_c 10.41363399 _cell_angle_alpha 102.64098898 _cell_angle_beta 112.04457826 _cell_angle_gamma 105.95426344 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTi16O32 _chemical_formula_sum 'K1 Ti16 O32' _cell_volume 630.58789155 _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 0.00000000 0.50000000 0.50000000 1.0 Ti Ti1 1 0.47610900 0.81501400 0.99689100 1.0 Ti Ti2 1 0.47557100 0.06483300 0.24618000 1.0 Ti Ti3 1 0.18157100 0.36565800 0.88974800 1.0 Ti Ti4 1 0.81766600 0.88443300 0.35952300 1.0 Ti Ti5 1 0.81842900 0.63434200 0.11025200 1.0 Ti Ti6 1 0.81653700 0.13050000 0.61174500 1.0 Ti Ti7 1 0.52389100 0.18498600 0.00310900 1.0 Ti Ti8 1 0.51850900 0.43449800 0.25046900 1.0 Ti Ti9 1 0.47609000 0.31452700 0.49663500 1.0 Ti Ti10 1 0.48149100 0.56550200 0.74953100 1.0 Ti Ti11 1 0.18233400 0.11556700 0.64047700 1.0 Ti Ti12 1 0.18155700 0.61598200 0.13889100 1.0 Ti Ti13 1 0.18346300 0.86950000 0.38825500 1.0 Ti Ti14 1 0.81844300 0.38401800 0.86110900 1.0 Ti Ti15 1 0.52391000 0.68547300 0.50336500 1.0 Ti Ti16 1 0.52442900 0.93516700 0.75382000 1.0 O O17 1 0.36564400 0.98000000 0.03175300 1.0 O O18 1 0.29549300 0.62587100 0.00195900 1.0 O O19 1 0.62396600 0.67469000 0.97005400 1.0 O O20 1 0.62585300 0.17585900 0.47034900 1.0 O O21 1 0.62380900 0.92407400 0.21982400 1.0 O O22 1 0.37603400 0.32531000 0.02994600 1.0 O O23 1 0.94835400 0.87767700 0.24266200 1.0 O O24 1 0.94836000 0.62742400 0.99292900 1.0 O O25 1 0.94859700 0.12937500 0.49226700 1.0 O O26 1 0.94848200 0.37819500 0.74081600 1.0 O O27 1 0.70575100 0.62358300 0.24959800 1.0 O O28 1 0.70476100 0.87400300 0.49828800 1.0 O O29 1 0.70450700 0.37412900 0.99804100 1.0 O O30 1 0.36517500 0.22983500 0.28150500 1.0 O O31 1 0.36305600 0.47955600 0.53091200 1.0 O O32 1 0.36269600 0.72794200 0.77950500 1.0 O O33 1 0.63730400 0.27205800 0.22049500 1.0 O O34 1 0.63694400 0.52044400 0.46908800 1.0 O O35 1 0.63435600 0.02000000 0.96824700 1.0 O O36 1 0.29523900 0.12599700 0.50171200 1.0 O O37 1 0.29424900 0.37641700 0.75040200 1.0 O O38 1 0.29526000 0.87556300 0.25163100 1.0 O O39 1 0.05140300 0.87062500 0.50773300 1.0 O O40 1 0.05164000 0.37257600 0.00707100 1.0 O O41 1 0.05151800 0.62180500 0.25918400 1.0 O O42 1 0.05164600 0.12232300 0.75733800 1.0 O O43 1 0.62440700 0.42457600 0.71974000 1.0 O O44 1 0.37559300 0.57542400 0.28026000 1.0 O O45 1 0.37619100 0.07592600 0.78017600 1.0 O O46 1 0.37414700 0.82414100 0.52965100 1.0 O O47 1 0.70474000 0.12443700 0.74836900 1.0 O O48 1 0.63482500 0.77016500 0.71849500 1.0