# generated using pymatgen data_NaTi4O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06816700 _cell_length_b 7.13030030 _cell_length_c 10.35614041 _cell_angle_alpha 101.08854776 _cell_angle_beta 91.21276839 _cell_angle_gamma 94.58974250 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTi4O8 _chemical_formula_sum 'Na3 Ti12 O24' _cell_volume 438.00639900 _cell_formula_units_Z 3 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 0.01996400 0.42661600 0.06422600 1.0 Na Na1 1 0.74071800 0.57337000 0.69444600 1.0 Na Na2 1 0.46892400 0.57132200 0.42446500 1.0 Ti Ti3 1 0.00037800 0.98045800 0.99249500 1.0 Ti Ti4 1 0.25373300 0.00169400 0.24769500 1.0 Ti Ti5 1 0.74234900 0.02116300 0.75784600 1.0 Ti Ti6 1 0.50014200 0.01325400 0.50623000 1.0 Ti Ti7 1 0.26452800 0.30709500 0.78929000 1.0 Ti Ti8 1 0.02435900 0.29786300 0.53822500 1.0 Ti Ti9 1 0.77942200 0.29726200 0.29550100 1.0 Ti Ti10 1 0.52223400 0.30012600 0.04843100 1.0 Ti Ti11 1 0.48282900 0.69385200 0.96070200 1.0 Ti Ti12 1 0.22495500 0.70441200 0.70859400 1.0 Ti Ti13 1 0.72550900 0.70406700 0.20508700 1.0 Ti Ti14 1 0.98222000 0.70142000 0.45074900 1.0 O O15 1 0.02143600 0.14476900 0.85609800 1.0 O O16 1 0.52153300 0.13899400 0.34845200 1.0 O O17 1 0.77288700 0.14289700 0.59900300 1.0 O O18 1 0.26675200 0.13969800 0.09839400 1.0 O O19 1 0.29182800 0.18746700 0.60241700 1.0 O O20 1 0.53935300 0.18527600 0.85112300 1.0 O O21 1 0.03935800 0.18353000 0.35131300 1.0 O O22 1 0.78099800 0.18253200 0.10161700 1.0 O O23 1 0.31365700 0.45203300 0.97416600 1.0 O O24 1 0.04329400 0.44930700 0.73048000 1.0 O O25 1 0.54760700 0.45296000 0.22355400 1.0 O O26 1 0.78815500 0.45408100 0.47723600 1.0 O O27 1 0.43813300 0.54778900 0.77435000 1.0 O O28 1 0.18815100 0.54435800 0.52850100 1.0 O O29 1 0.95686400 0.54512600 0.27403100 1.0 O O30 1 0.70989500 0.54917500 0.02212000 1.0 O O31 1 0.20946100 0.81227600 0.89886600 1.0 O O32 1 0.97023600 0.81647600 0.64683800 1.0 O O33 1 0.71985900 0.81510100 0.39701500 1.0 O O34 1 0.46282200 0.81381900 0.14721600 1.0 O O35 1 0.48222300 0.85352800 0.64672600 1.0 O O36 1 0.72850200 0.85238400 0.89408300 1.0 O O37 1 0.23635400 0.85810700 0.40205400 1.0 O O38 1 0.98055700 0.85994100 0.15224200 1.0