# generated using pymatgen data_Ti17(NO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.04244000 _cell_length_b 10.39471800 _cell_length_c 11.47014674 _cell_angle_alpha 68.41621130 _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 1113.39206367 _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 0.25000000 0.19800300 0.10292700 1.0 Ti Ti1 1 0.57732900 0.14393200 0.12308600 1.0 Ti Ti2 1 0.92267100 0.14393200 0.12308600 1.0 Ti Ti3 1 0.06012700 0.36257800 0.21266400 1.0 Ti Ti4 1 0.43987300 0.36257800 0.21266400 1.0 Ti Ti5 1 0.92934600 0.63543800 0.12152800 1.0 Ti Ti6 1 0.57065400 0.63543800 0.12152800 1.0 Ti Ti7 1 0.25000000 0.69866000 0.10170200 1.0 Ti Ti8 1 0.57649200 0.14032800 0.44804400 1.0 Ti Ti9 1 0.75000000 0.80191600 0.23104900 1.0 Ti Ti10 1 0.06937800 0.86438400 0.21083500 1.0 Ti Ti11 1 0.43062200 0.86438400 0.21083500 1.0 Ti Ti12 1 0.92350800 0.14032800 0.44804400 1.0 Ti Ti13 1 0.25000000 0.19624200 0.43079900 1.0 Ti Ti14 1 0.42797800 0.35902600 0.54696100 1.0 Ti Ti15 1 0.07202200 0.35902600 0.54696100 1.0 Ti Ti16 1 0.92797800 0.64097400 0.45303900 1.0 Ti Ti17 1 0.75000000 0.30191200 0.56631600 1.0 Ti Ti18 1 0.57202200 0.64097400 0.45303900 1.0 Ti Ti19 1 0.25000000 0.69808800 0.43368400 1.0 Ti Ti20 1 0.56937800 0.13561600 0.78916500 1.0 Ti Ti21 1 0.25000000 0.19808400 0.76895100 1.0 Ti Ti22 1 0.07649200 0.85967200 0.55195600 1.0 Ti Ti23 1 0.75000000 0.80375800 0.56920100 1.0 Ti Ti24 1 0.93062200 0.13561600 0.78916500 1.0 Ti Ti25 1 0.42350800 0.85967200 0.55195600 1.0 Ti Ti26 1 0.93987300 0.63742200 0.78733600 1.0 Ti Ti27 1 0.56012700 0.63742200 0.78733600 1.0 Ti Ti28 1 0.75000000 0.30134000 0.89829800 1.0 Ti Ti29 1 0.42934600 0.36456200 0.87847200 1.0 Ti Ti30 1 0.07065400 0.36456200 0.87847200 1.0 Ti Ti31 1 0.75000000 0.80199700 0.89707300 1.0 Ti Ti32 1 0.07732900 0.85606800 0.87691400 1.0 Ti Ti33 1 0.42267100 0.85606800 0.87691400 1.0 N N34 1 0.75000000 0.22109900 0.08246200 1.0 N N35 1 0.75000000 0.73268400 0.08768000 1.0 N N36 1 0.25000000 0.26886300 0.24348300 1.0 N N37 1 0.75000000 0.21923600 0.44029900 1.0 N N38 1 0.25000000 0.77309200 0.24356700 1.0 N N39 1 0.75000000 0.72964600 0.42493400 1.0 N N40 1 0.25000000 0.27035400 0.57506600 1.0 N N41 1 0.75000000 0.22690800 0.75643300 1.0 N N42 1 0.25000000 0.78076400 0.55970100 1.0 N N43 1 0.25000000 0.26731600 0.91232000 1.0 N N44 1 0.75000000 0.73113700 0.75651700 1.0 N N45 1 0.25000000 0.77890100 0.91753800 1.0 O O46 1 0.12065400 0.04735500 0.14931000 1.0 O O47 1 0.06247900 0.30989200 0.06376100 1.0 O O48 1 0.37934600 0.04735500 0.14931000 1.0 O O49 1 0.43752100 0.30989200 0.06376100 1.0 O O50 1 0.60857800 0.45603800 0.18110400 1.0 O O51 1 0.12176600 0.54946300 0.15030000 1.0 O O52 1 0.06535300 0.81350100 0.06385100 1.0 O O53 1 0.54996700 0.17572700 0.27496900 1.0 O O54 1 0.37823400 0.54946300 0.15030000 1.0 O O55 1 0.95003300 0.17572700 0.27496900 1.0 O O56 1 0.89142200 0.45603800 0.18110400 1.0 O O57 1 0.43464700 0.81350100 0.06385100 1.0 O O58 1 0.06280200 0.31146300 0.39578700 1.0 O O59 1 0.38028500 0.04839000 0.48701100 1.0 O O60 1 0.11971500 0.04839000 0.48701100 1.0 O O61 1 0.43719800 0.31146300 0.39578700 1.0 O O62 1 0.88157400 0.95124600 0.18367500 1.0 O O63 1 0.61842600 0.95124600 0.18367500 1.0 O O64 1 0.93397600 0.68794200 0.27065900 1.0 O O65 1 0.56602400 0.68794200 0.27065900 1.0 O O66 1 0.11853100 0.54700600 0.48486100 1.0 O O67 1 0.88146900 0.45299400 0.51513900 1.0 O O68 1 0.06295400 0.80946900 0.39517600 1.0 O O69 1 0.93704600 0.19053100 0.60482400 1.0 O O70 1 0.56295400 0.19053100 0.60482400 1.0 O O71 1 0.61853100 0.45299400 0.51513900 1.0 O O72 1 0.38146900 0.54700600 0.48486100 1.0 O O73 1 0.43704600 0.80946900 0.39517600 1.0 O O74 1 0.11842600 0.04875400 0.81632500 1.0 O O75 1 0.06602400 0.31205800 0.72934100 1.0 O O76 1 0.93719800 0.68853700 0.60421300 1.0 O O77 1 0.61971500 0.95161000 0.51298900 1.0 O O78 1 0.56280200 0.68853700 0.60421300 1.0 O O79 1 0.88028500 0.95161000 0.51298900 1.0 O O80 1 0.38157400 0.04875400 0.81632500 1.0 O O81 1 0.43397600 0.31205800 0.72934100 1.0 O O82 1 0.87823400 0.45053700 0.84970000 1.0 O O83 1 0.56535300 0.18649900 0.93614900 1.0 O O84 1 0.62176600 0.45053700 0.84970000 1.0 O O85 1 0.10857800 0.54396200 0.81889600 1.0 O O86 1 0.93464700 0.18649900 0.93614900 1.0 O O87 1 0.39142200 0.54396200 0.81889600 1.0 O O88 1 0.45003300 0.82427300 0.72503100 1.0 O O89 1 0.04996700 0.82427300 0.72503100 1.0 O O90 1 0.56247900 0.69010800 0.93623900 1.0 O O91 1 0.87934600 0.95264500 0.85069000 1.0 O O92 1 0.62065400 0.95264500 0.85069000 1.0 O O93 1 0.93752100 0.69010800 0.93623900 1.0