# generated using pymatgen data_Na5Ti16O32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94886100 _cell_length_b 9.63012295 _cell_length_c 11.38866688 _cell_angle_alpha 90.55587827 _cell_angle_beta 90.04021236 _cell_angle_gamma 90.06371472 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Ti16O32 _chemical_formula_sum 'Na5 Ti16 O32' _cell_volume 652.40566706 _cell_formula_units_Z 1 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 Na Na0 1 0.62650500 0.11666000 0.41919800 1.0 Na Na1 1 0.39029200 0.39497800 0.92418400 1.0 Na Na2 1 0.10850600 0.60391100 0.07603400 1.0 Na Na3 1 0.88109500 0.89437600 0.57540000 1.0 Na Na4 1 0.36910400 0.89494300 0.57530000 1.0 Ti Ti5 1 0.87863300 0.01967800 0.87718900 1.0 Ti Ti6 1 0.37173900 0.01648300 0.87850200 1.0 Ti Ti7 1 0.62636100 0.23887500 0.67038000 1.0 Ti Ti8 1 0.12446200 0.23101800 0.65498200 1.0 Ti Ti9 1 0.87483600 0.27023500 0.15387500 1.0 Ti Ti10 1 0.37463800 0.26166500 0.17041900 1.0 Ti Ti11 1 0.11989100 0.48092500 0.37971000 1.0 Ti Ti12 1 0.62991900 0.48608200 0.37851900 1.0 Ti Ti13 1 0.87100500 0.51474300 0.62354200 1.0 Ti Ti14 1 0.37901300 0.51666400 0.62075000 1.0 Ti Ti15 1 0.12376500 0.73853400 0.83144300 1.0 Ti Ti16 1 0.62540700 0.73115900 0.84547600 1.0 Ti Ti17 1 0.87527200 0.76336400 0.33504500 1.0 Ti Ti18 1 0.37523500 0.76255900 0.33452800 1.0 Ti Ti19 1 0.62515700 0.98031600 0.12147200 1.0 Ti Ti20 1 0.12465100 0.98622500 0.12336500 1.0 O O21 1 0.87478400 0.10037000 0.04052700 1.0 O O22 1 0.37520100 0.09975300 0.04039700 1.0 O O23 1 0.62272100 0.12665400 0.81136400 1.0 O O24 1 0.12730700 0.12498100 0.80591000 1.0 O O25 1 0.62577000 0.13628400 0.22757400 1.0 O O26 1 0.12393500 0.13967900 0.22771900 1.0 O O27 1 0.86849500 0.13843200 0.59259700 1.0 O O28 1 0.38061500 0.14019900 0.59208000 1.0 O O29 1 0.61904000 0.35064400 0.09112200 1.0 O O30 1 0.13247800 0.35835300 0.09220700 1.0 O O31 1 0.87696300 0.36116300 0.72716500 1.0 O O32 1 0.37388300 0.36293200 0.72815700 1.0 O O33 1 0.87184300 0.37379600 0.30681800 1.0 O O34 1 0.37770300 0.37391800 0.31172400 1.0 O O35 1 0.62463700 0.39687400 0.53863200 1.0 O O36 1 0.12513000 0.39762400 0.53940000 1.0 O O37 1 0.87565000 0.60226700 0.46175200 1.0 O O38 1 0.37510400 0.60162800 0.46098300 1.0 O O39 1 0.12491100 0.63052000 0.68591600 1.0 O O40 1 0.62571700 0.62934500 0.69147100 1.0 O O41 1 0.62458500 0.63995400 0.27264400 1.0 O O42 1 0.12517000 0.63618200 0.27121200 1.0 O O43 1 0.88096700 0.64848700 0.90759900 1.0 O O44 1 0.36784700 0.64301000 0.90700600 1.0 O O45 1 0.62544000 0.85854100 0.41356600 1.0 O O46 1 0.12505100 0.84928800 0.41470500 1.0 O O47 1 0.87363800 0.86390800 0.76933900 1.0 O O48 1 0.37573900 0.86204200 0.76946700 1.0 O O49 1 0.87745400 0.87366200 0.19125600 1.0 O O50 1 0.37229400 0.87420800 0.19154300 1.0 O O51 1 0.62503500 0.89868700 0.95782200 1.0 O O52 1 0.12440800 0.89903300 0.95822800 1.0