# generated using pymatgen data_Ti17(NO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50209515 _cell_length_b 7.50209515 _cell_length_c 20.06791900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 99.65938168 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti17(NO4)6 _chemical_formula_sum 'Ti34 N12 O48' _cell_volume 1113.43860632 _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 0.30591800 0.63937200 0.09648700 1.0 Ti Ti1 1 0.02120800 0.36221900 0.66359000 1.0 Ti Ti2 1 0.02120800 0.36221900 0.83641000 1.0 Ti Ti3 1 0.30519700 0.63911400 0.58778400 1.0 Ti Ti4 1 0.30591800 0.63937200 0.40351300 1.0 Ti Ti5 1 0.30519700 0.63911400 0.91221600 1.0 Ti Ti6 1 0.03170900 0.36548200 0.15874300 1.0 Ti Ti7 1 0.03170900 0.36548200 0.34125700 1.0 Ti Ti8 1 0.03224100 0.02753800 0.75000000 1.0 Ti Ti9 1 0.02753800 0.03224100 0.25000000 1.0 Ti Ti10 1 0.63741400 0.63741400 0.00000000 1.0 Ti Ti11 1 0.63741400 0.63741400 0.50000000 1.0 Ti Ti12 1 0.36548200 0.03170900 0.84125700 1.0 Ti Ti13 1 0.69869300 0.36077100 0.25000000 1.0 Ti Ti14 1 0.63911400 0.30519700 0.08778400 1.0 Ti Ti15 1 0.63937200 0.30591800 0.90351300 1.0 Ti Ti16 1 0.63911400 0.30519700 0.41221600 1.0 Ti Ti17 1 0.36221900 0.02120800 0.33641000 1.0 Ti Ti18 1 0.36221900 0.02120800 0.16359000 1.0 Ti Ti19 1 0.36548200 0.03170900 0.65874300 1.0 Ti Ti20 1 0.63937200 0.30591800 0.59648700 1.0 Ti Ti21 1 0.30376600 0.96778800 0.00051200 1.0 Ti Ti22 1 0.30376600 0.96778800 0.49948800 1.0 Ti Ti23 1 0.96778800 0.30376600 0.50051200 1.0 Ti Ti24 1 0.96778800 0.30376600 0.99948800 1.0 Ti Ti25 1 0.36077100 0.69869300 0.75000000 1.0 Ti Ti26 1 0.97234800 0.97241300 0.41107000 1.0 Ti Ti27 1 0.97241300 0.97234800 0.91107000 1.0 Ti Ti28 1 0.68742200 0.69446100 0.16348700 1.0 Ti Ti29 1 0.97234800 0.97241300 0.08893000 1.0 Ti Ti30 1 0.68742200 0.69446100 0.33651300 1.0 Ti Ti31 1 0.97241300 0.97234800 0.58893000 1.0 Ti Ti32 1 0.69446100 0.68742200 0.83651300 1.0 Ti Ti33 1 0.69446100 0.68742200 0.66348700 1.0 N N34 1 0.06386100 0.06386100 0.00000000 1.0 N N35 1 0.06386100 0.06386100 0.50000000 1.0 N N36 1 0.62579100 0.59980200 0.25000000 1.0 N N37 1 0.59980200 0.62579100 0.75000000 1.0 N N38 1 0.72838100 0.39814700 0.99951700 1.0 N N39 1 0.26631700 0.95929600 0.25000000 1.0 N N40 1 0.72838100 0.39814700 0.50048300 1.0 N N41 1 0.27035500 0.93708700 0.75000000 1.0 N N42 1 0.93708700 0.27035500 0.25000000 1.0 N N43 1 0.39814700 0.72838100 0.49951700 1.0 N N44 1 0.95929600 0.26631700 0.75000000 1.0 N N45 1 0.39814700 0.72838100 0.00048300 1.0 O O46 1 0.21057900 0.54293700 0.32038300 1.0 O O47 1 0.21361300 0.54804700 0.68429900 1.0 O O48 1 0.12160600 0.44886500 0.56518700 1.0 O O49 1 0.11608400 0.45057200 0.06400000 1.0 O O50 1 0.12160600 0.44886500 0.93481300 1.0 O O51 1 0.11608400 0.45057200 0.43600000 1.0 O O52 1 0.21057900 0.54293700 0.17961700 1.0 O O53 1 0.21361300 0.54804700 0.81570100 1.0 O O54 1 0.14024600 0.14295000 0.15620400 1.0 O O55 1 0.14024600 0.14295000 0.34379600 1.0 O O56 1 0.14295000 0.14024600 0.84379600 1.0 O O57 1 0.14295000 0.14024600 0.65620400 1.0 O O58 1 0.52209400 0.52240700 0.90633500 1.0 O O59 1 0.52240700 0.52209400 0.40633500 1.0 O O60 1 0.52209400 0.52240700 0.59366500 1.0 O O61 1 0.52240700 0.52209400 0.09366500 1.0 O O62 1 0.80973400 0.47371200 0.15616200 1.0 O O63 1 0.54293700 0.21057900 0.82038300 1.0 O O64 1 0.80973400 0.47371200 0.34383800 1.0 O O65 1 0.54804700 0.21361300 0.31570100 1.0 O O66 1 0.54804700 0.21361300 0.18429900 1.0 O O67 1 0.44886500 0.12160600 0.06518700 1.0 O O68 1 0.44886500 0.12160600 0.43481200 1.0 O O69 1 0.45057200 0.11608400 0.93600000 1.0 O O70 1 0.18405000 0.84979000 0.90929200 1.0 O O71 1 0.82310300 0.48994700 0.85026300 1.0 O O72 1 0.54293700 0.21057900 0.67961700 1.0 O O73 1 0.45057200 0.11608400 0.56400000 1.0 O O74 1 0.18818800 0.85395900 0.09396300 1.0 O O75 1 0.18818800 0.85395900 0.40603700 1.0 O O76 1 0.82310300 0.48994700 0.64973700 1.0 O O77 1 0.18405000 0.84979000 0.59070800 1.0 O O78 1 0.47371200 0.80973400 0.84383800 1.0 O O79 1 0.47371200 0.80973400 0.65616200 1.0 O O80 1 0.85395900 0.18818800 0.59396300 1.0 O O81 1 0.84979000 0.18405000 0.40929200 1.0 O O82 1 0.85395900 0.18818800 0.90603700 1.0 O O83 1 0.48994700 0.82310300 0.14973700 1.0 O O84 1 0.48994700 0.82310300 0.35026300 1.0 O O85 1 0.84979000 0.18405000 0.09070800 1.0 O O86 1 0.88161900 0.87997800 0.68415800 1.0 O O87 1 0.78247100 0.78933800 0.93510200 1.0 O O88 1 0.87997800 0.88161900 0.31584200 1.0 O O89 1 0.88161900 0.87997800 0.81584200 1.0 O O90 1 0.87997800 0.88161900 0.18415800 1.0 O O91 1 0.78247100 0.78933800 0.56489800 1.0 O O92 1 0.78933800 0.78247100 0.43510200 1.0 O O93 1 0.78933800 0.78247100 0.06489800 1.0