# generated using pymatgen data_KTi3Si2P6O25 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.40856397 _cell_length_b 8.40856397 _cell_length_c 17.31416900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999977 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTi3Si2P6O25 _chemical_formula_sum 'K2 Ti6 Si4 P12 O50' _cell_volume 1060.17107270 _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 0.33333300 0.66666700 0.25000000 1.0 K K1 1 0.66666700 0.33333300 0.75000000 1.0 Ti Ti2 1 0.33333300 0.66666700 0.02425100 1.0 Ti Ti3 1 0.33333300 0.66666700 0.47574900 1.0 Ti Ti4 1 0.66666700 0.33333300 0.97574900 1.0 Ti Ti5 1 0.66666700 0.33333300 0.52425100 1.0 Ti Ti6 1 0.66666700 0.33333300 0.25000000 1.0 Ti Ti7 1 0.33333300 0.66666700 0.75000000 1.0 Si Si8 1 0.00000000 0.00000000 0.09228600 1.0 Si Si9 1 0.00000000 0.00000000 0.40771400 1.0 Si Si10 1 0.00000000 0.00000000 0.90771400 1.0 Si Si11 1 0.00000000 0.00000000 0.59228600 1.0 P P12 1 0.38270700 0.33242400 0.10975100 1.0 P P13 1 0.66757600 0.05028300 0.10975100 1.0 P P14 1 0.94971700 0.61729300 0.10975100 1.0 P P15 1 0.66757600 0.61729300 0.39024900 1.0 P P16 1 0.94971700 0.33242400 0.39024900 1.0 P P17 1 0.38270700 0.05028300 0.39024900 1.0 P P18 1 0.61729300 0.66757600 0.89024900 1.0 P P19 1 0.33242400 0.94971700 0.89024900 1.0 P P20 1 0.05028300 0.38270700 0.89024900 1.0 P P21 1 0.33242400 0.38270700 0.60975100 1.0 P P22 1 0.05028300 0.66757600 0.60975100 1.0 P P23 1 0.61729300 0.94971700 0.60975100 1.0 O O24 1 0.12208100 0.60435800 0.09396100 1.0 O O25 1 0.39564200 0.51772200 0.09396100 1.0 O O26 1 0.48227800 0.87791900 0.09396100 1.0 O O27 1 0.39564200 0.87791900 0.40603900 1.0 O O28 1 0.48227800 0.60435800 0.40603900 1.0 O O29 1 0.12208100 0.51772200 0.40603900 1.0 O O30 1 0.87791900 0.39564200 0.90603900 1.0 O O31 1 0.60435800 0.48227800 0.90603900 1.0 O O32 1 0.51772200 0.12208100 0.90603900 1.0 O O33 1 0.60435800 0.12208100 0.59396100 1.0 O O34 1 0.51772200 0.39564200 0.59396100 1.0 O O35 1 0.87791900 0.48227800 0.59396100 1.0 O O36 1 0.81495600 0.26111200 0.45822100 1.0 O O37 1 0.73888800 0.55384400 0.45822100 1.0 O O38 1 0.44615600 0.18504400 0.45822100 1.0 O O39 1 0.73888800 0.18504400 0.04177900 1.0 O O40 1 0.44615600 0.26111200 0.04177900 1.0 O O41 1 0.81495600 0.55384400 0.04177900 1.0 O O42 1 0.18504400 0.73888800 0.54177900 1.0 O O43 1 0.26111200 0.44615600 0.54177900 1.0 O O44 1 0.55384400 0.81495600 0.54177900 1.0 O O45 1 0.26111200 0.81495600 0.95822100 1.0 O O46 1 0.55384400 0.73888800 0.95822100 1.0 O O47 1 0.18504400 0.44615600 0.95822100 1.0 O O48 1 0.47828100 0.34186500 0.18574000 1.0 O O49 1 0.65813500 0.13641600 0.18574000 1.0 O O50 1 0.86358400 0.52171900 0.18574000 1.0 O O51 1 0.65813500 0.52171900 0.31426000 1.0 O O52 1 0.86358400 0.34186500 0.31426000 1.0 O O53 1 0.47828100 0.13641600 0.31426000 1.0 O O54 1 0.52171900 0.65813500 0.81426000 1.0 O O55 1 0.34186500 0.86358400 0.81426000 1.0 O O56 1 0.13641600 0.47828100 0.81426000 1.0 O O57 1 0.34186500 0.47828100 0.68574000 1.0 O O58 1 0.13641600 0.65813500 0.68574000 1.0 O O59 1 0.52171900 0.86358400 0.68574000 1.0 O O60 1 0.00000000 0.00000000 0.00000000 1.0 O O61 1 0.00000000 0.00000000 0.50000000 1.0 O O62 1 0.01942900 0.82924300 0.12563000 1.0 O O63 1 0.17075700 0.19018600 0.12563000 1.0 O O64 1 0.80981400 0.98057100 0.12563000 1.0 O O65 1 0.17075700 0.98057100 0.37437000 1.0 O O66 1 0.80981400 0.82924300 0.37437000 1.0 O O67 1 0.01942900 0.19018600 0.37437000 1.0 O O68 1 0.98057100 0.17075700 0.87437000 1.0 O O69 1 0.82924300 0.80981400 0.87437000 1.0 O O70 1 0.19018600 0.01942900 0.87437000 1.0 O O71 1 0.82924300 0.01942900 0.62563000 1.0 O O72 1 0.19018600 0.17075700 0.62563000 1.0 O O73 1 0.98057100 0.80981400 0.62563000 1.0