# generated using pymatgen data_K2Ti2(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.03274900 _cell_length_b 10.03274900 _cell_length_c 10.03274900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2Ti2(PO4)3 _chemical_formula_sum 'K8 Ti8 P12 O48' _cell_volume 1009.85691003 _cell_formula_units_Z 4 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 0.93087200 0.93087200 0.93087200 1.0 K K1 1 0.43087200 0.56912800 0.06912800 1.0 K K2 1 0.56912800 0.06912800 0.43087200 1.0 K K3 1 0.06912800 0.43087200 0.56912800 1.0 K K4 1 0.70404600 0.70404600 0.70404600 1.0 K K5 1 0.79595400 0.29595400 0.20404600 1.0 K K6 1 0.29595400 0.20404600 0.79595400 1.0 K K7 1 0.20404600 0.79595400 0.29595400 1.0 Ti Ti8 1 0.41266200 0.41266200 0.41266200 1.0 Ti Ti9 1 0.58733800 0.91266200 0.08733800 1.0 Ti Ti10 1 0.91266200 0.08733800 0.58733800 1.0 Ti Ti11 1 0.08733800 0.58733800 0.91266200 1.0 Ti Ti12 1 0.85806200 0.64193800 0.35806200 1.0 Ti Ti13 1 0.64193800 0.35806200 0.85806200 1.0 Ti Ti14 1 0.35806200 0.85806200 0.64193800 1.0 Ti Ti15 1 0.14193800 0.14193800 0.14193800 1.0 P P16 1 0.37327500 0.54215200 0.72618000 1.0 P P17 1 0.87327500 0.95784800 0.27382000 1.0 P P18 1 0.62672500 0.04215200 0.77382000 1.0 P P19 1 0.95784800 0.27382000 0.87327500 1.0 P P20 1 0.77382000 0.62672500 0.04215200 1.0 P P21 1 0.27382000 0.87327500 0.95784800 1.0 P P22 1 0.54215200 0.72618000 0.37327500 1.0 P P23 1 0.72618000 0.37327500 0.54215200 1.0 P P24 1 0.04215200 0.77382000 0.62672500 1.0 P P25 1 0.45784800 0.22618000 0.12672500 1.0 P P26 1 0.22618000 0.12672500 0.45784800 1.0 P P27 1 0.12672500 0.45784800 0.22618000 1.0 O O28 1 0.24023900 0.52174900 0.80171300 1.0 O O29 1 0.74023900 0.97825100 0.19828700 1.0 O O30 1 0.75976100 0.02174900 0.69828700 1.0 O O31 1 0.97825100 0.19828700 0.74023900 1.0 O O32 1 0.69828700 0.75976100 0.02174900 1.0 O O33 1 0.19828700 0.74023900 0.97825100 1.0 O O34 1 0.52174900 0.80171300 0.24023900 1.0 O O35 1 0.80171300 0.24023900 0.52174900 1.0 O O36 1 0.02174900 0.69828700 0.75976100 1.0 O O37 1 0.47825100 0.30171300 0.25976100 1.0 O O38 1 0.30171300 0.25976100 0.47825100 1.0 O O39 1 0.25976100 0.47825100 0.30171300 1.0 O O40 1 0.35206100 0.49678700 0.58079600 1.0 O O41 1 0.85206100 0.00321300 0.41920400 1.0 O O42 1 0.64793900 0.99678700 0.91920400 1.0 O O43 1 0.00321300 0.41920400 0.85206100 1.0 O O44 1 0.91920400 0.64793900 0.99678700 1.0 O O45 1 0.41920400 0.85206100 0.00321300 1.0 O O46 1 0.70162900 0.52274500 0.95424200 1.0 O O47 1 0.49678700 0.58079600 0.35206100 1.0 O O48 1 0.99678700 0.91920400 0.64793900 1.0 O O49 1 0.50321300 0.08079600 0.14793900 1.0 O O50 1 0.08079600 0.14793900 0.50321300 1.0 O O51 1 0.14793900 0.50321300 0.08079600 1.0 O O52 1 0.47725500 0.45424200 0.79837100 1.0 O O53 1 0.97725500 0.04575800 0.20162900 1.0 O O54 1 0.52274500 0.95424200 0.70162900 1.0 O O55 1 0.04575800 0.20162900 0.97725500 1.0 O O56 1 0.08008700 0.31062700 0.23131300 1.0 O O57 1 0.23131300 0.08008700 0.31062700 1.0 O O58 1 0.31062700 0.23131300 0.08008700 1.0 O O59 1 0.18937300 0.76868700 0.58008700 1.0 O O60 1 0.73131300 0.41991300 0.68937300 1.0 O O61 1 0.68937300 0.73131300 0.41991300 1.0 O O62 1 0.26868700 0.91991300 0.81062700 1.0 O O63 1 0.76868700 0.58008700 0.18937300 1.0 O O64 1 0.81062700 0.26868700 0.91991300 1.0 O O65 1 0.58008700 0.18937300 0.76868700 1.0 O O66 1 0.91991300 0.81062700 0.26868700 1.0 O O67 1 0.41991300 0.68937300 0.73131300 1.0 O O68 1 0.02274500 0.54575800 0.29837100 1.0 O O69 1 0.29837100 0.02274500 0.54575800 1.0 O O70 1 0.54575800 0.29837100 0.02274500 1.0 O O71 1 0.95424200 0.70162900 0.52274500 1.0 O O72 1 0.79837100 0.47725500 0.45424200 1.0 O O73 1 0.45424200 0.79837100 0.47725500 1.0 O O74 1 0.20162900 0.97725500 0.04575800 1.0 O O75 1 0.58079600 0.35206100 0.49678700 1.0