# generated using pymatgen data_Ti17(NO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.66252200 _cell_length_b 10.02794000 _cell_length_c 11.48828200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti17(NO4)6 _chemical_formula_sum 'Ti34 N12 O48' _cell_volume 1113.15927710 _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 Ti Ti0 1 0.11405000 0.17951200 0.00000000 1.0 Ti Ti1 1 0.38690400 0.69261800 0.00000000 1.0 Ti Ti2 1 0.11405000 0.82048800 0.00000000 1.0 Ti Ti3 1 0.05182000 0.50000000 0.00000000 1.0 Ti Ti4 1 0.38690400 0.30738200 0.00000000 1.0 Ti Ti5 1 0.88795700 0.67784900 0.16677800 1.0 Ti Ti6 1 0.60643500 0.17320300 0.16206800 1.0 Ti Ti7 1 0.88795700 0.32215100 0.16677800 1.0 Ti Ti8 1 0.94567300 0.00000000 0.16515700 1.0 Ti Ti9 1 0.60643500 0.82679700 0.16206800 1.0 Ti Ti10 1 0.55147000 0.50000000 0.16207600 1.0 Ti Ti11 1 0.05432700 0.50000000 0.33484300 1.0 Ti Ti12 1 0.11204300 0.82215100 0.33322200 1.0 Ti Ti13 1 0.39356500 0.32679700 0.33793200 1.0 Ti Ti14 1 0.39356500 0.67320300 0.33793200 1.0 Ti Ti15 1 0.11204300 0.17784900 0.33322200 1.0 Ti Ti16 1 0.44853000 0.00000000 0.33792400 1.0 Ti Ti17 1 0.88595000 0.32048800 0.50000000 1.0 Ti Ti18 1 0.94818000 0.00000000 0.50000000 1.0 Ti Ti19 1 0.61309600 0.80738200 0.50000000 1.0 Ti Ti20 1 0.61309600 0.19261800 0.50000000 1.0 Ti Ti21 1 0.88595000 0.67951200 0.50000000 1.0 Ti Ti22 1 0.39356500 0.32679700 0.66206800 1.0 Ti Ti23 1 0.11204300 0.82215100 0.66677800 1.0 Ti Ti24 1 0.11204300 0.17784900 0.66677800 1.0 Ti Ti25 1 0.44853000 0.00000000 0.66207600 1.0 Ti Ti26 1 0.05432700 0.50000000 0.66515700 1.0 Ti Ti27 1 0.39356500 0.67320300 0.66206800 1.0 Ti Ti28 1 0.88795700 0.32215100 0.83322200 1.0 Ti Ti29 1 0.55147000 0.50000000 0.83792400 1.0 Ti Ti30 1 0.60643500 0.17320300 0.83793200 1.0 Ti Ti31 1 0.88795700 0.67784900 0.83322200 1.0 Ti Ti32 1 0.94567300 0.00000000 0.83484300 1.0 Ti Ti33 1 0.60643500 0.82679700 0.83793200 1.0 N N34 1 0.01656000 0.00000000 0.00000000 1.0 N N35 1 0.47708800 0.50000000 0.00000000 1.0 N N36 1 0.98115200 0.50000000 0.16796000 1.0 N N37 1 0.52988600 0.00000000 0.18198500 1.0 N N38 1 0.01884800 0.00000000 0.33204000 1.0 N N39 1 0.47011400 0.50000000 0.31801500 1.0 N N40 1 0.98344000 0.50000000 0.50000000 1.0 N N41 1 0.52291200 0.00000000 0.50000000 1.0 N N42 1 0.01884800 0.00000000 0.66796000 1.0 N N43 1 0.47011400 0.50000000 0.68198500 1.0 N N44 1 0.52988600 0.00000000 0.81801500 1.0 N N45 1 0.98115200 0.50000000 0.83204000 1.0 O O46 1 0.93317300 0.31613000 0.00000000 1.0 O O47 1 0.29355400 0.13996300 0.00000000 1.0 O O48 1 0.19965300 0.62843900 0.00000000 1.0 O O49 1 0.57412400 0.80249800 0.00000000 1.0 O O50 1 0.29355400 0.86003700 0.00000000 1.0 O O51 1 0.93317300 0.68387000 0.00000000 1.0 O O52 1 0.19965300 0.37156100 0.00000000 1.0 O O53 1 0.57412400 0.19750200 0.00000000 1.0 O O54 1 0.79831200 0.86876000 0.16626400 1.0 O O55 1 0.79831200 0.13124000 0.16626400 1.0 O O56 1 0.44060900 0.31155400 0.16486900 1.0 O O57 1 0.06161400 0.18655900 0.16634400 1.0 O O58 1 0.06161400 0.81344100 0.16634400 1.0 O O59 1 0.44060900 0.68844600 0.16486900 1.0 O O60 1 0.70325800 0.63028400 0.16884600 1.0 O O61 1 0.70325800 0.36971600 0.16884600 1.0 O O62 1 0.93838600 0.31344100 0.33365600 1.0 O O63 1 0.93838600 0.68655900 0.33365600 1.0 O O64 1 0.20168800 0.63124000 0.33373600 1.0 O O65 1 0.29674200 0.86971600 0.33115400 1.0 O O66 1 0.20168800 0.36876000 0.33373600 1.0 O O67 1 0.55939100 0.81155400 0.33513100 1.0 O O68 1 0.29674200 0.13028400 0.33115400 1.0 O O69 1 0.55939100 0.18844600 0.33513100 1.0 O O70 1 0.06682700 0.18387000 0.50000000 1.0 O O71 1 0.06682700 0.81613000 0.50000000 1.0 O O72 1 0.42587600 0.30249800 0.50000000 1.0 O O73 1 0.70644600 0.36003700 0.50000000 1.0 O O74 1 0.80034700 0.87156100 0.50000000 1.0 O O75 1 0.80034700 0.12843900 0.50000000 1.0 O O76 1 0.42587600 0.69750200 0.50000000 1.0 O O77 1 0.70644600 0.63996300 0.50000000 1.0 O O78 1 0.93838600 0.31344100 0.66634400 1.0 O O79 1 0.20168800 0.36876000 0.66626400 1.0 O O80 1 0.29674200 0.13028400 0.66884600 1.0 O O81 1 0.29674200 0.86971600 0.66884600 1.0 O O82 1 0.55939100 0.18844600 0.66486900 1.0 O O83 1 0.55939100 0.81155400 0.66486900 1.0 O O84 1 0.93838600 0.68655900 0.66634400 1.0 O O85 1 0.20168800 0.63124000 0.66626400 1.0 O O86 1 0.44060900 0.31155400 0.83513100 1.0 O O87 1 0.44060900 0.68844600 0.83513100 1.0 O O88 1 0.70325800 0.36971600 0.83115400 1.0 O O89 1 0.70325800 0.63028400 0.83115400 1.0 O O90 1 0.79831200 0.86876000 0.83373600 1.0 O O91 1 0.79831200 0.13124000 0.83373600 1.0 O O92 1 0.06161400 0.18655900 0.83365600 1.0 O O93 1 0.06161400 0.81344100 0.83365600 1.0