# generated using pymatgen data_Ti7O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54886445 _cell_length_b 7.12903282 _cell_length_c 11.32792235 _cell_angle_alpha 83.81468465 _cell_angle_beta 89.27025124 _cell_angle_gamma 71.55016940 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti7O13 _chemical_formula_sum 'Ti14 O26' _cell_volume 422.49502709 _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 0.21105560 0.28814424 0.55204434 1.0 Ti Ti1 1 0.78900071 0.01401874 0.70548116 1.0 Ti Ti2 1 0.38790785 0.76365062 0.85574371 1.0 Ti Ti3 1 0.79594858 0.21102522 0.44189021 1.0 Ti Ti4 1 0.20405142 0.78897478 0.55810979 1.0 Ti Ti5 1 0.21286777 0.48857252 0.29221292 1.0 Ti Ti6 1 0.78894440 0.71185576 0.44795566 1.0 Ti Ti7 1 0.21099929 0.98598126 0.29451884 1.0 Ti Ti8 1 -0.00000000 0.00000000 -0.00000000 1.0 Ti Ti9 1 0.60531931 0.73998622 0.14778096 1.0 Ti Ti10 1 0.78713223 0.51142748 0.70778708 1.0 Ti Ti11 1 -0.00000000 0.50000000 -0.00000000 1.0 Ti Ti12 1 0.39468069 0.26001378 0.85221904 1.0 Ti Ti13 1 0.61209215 0.23634938 0.14425629 1.0 O O14 1 0.67944379 0.28818650 0.75061740 1.0 O O15 1 0.57184044 0.31412039 0.31569147 1.0 O O16 1 0.94259292 0.92908338 0.40838514 1.0 O O17 1 0.14943484 0.36750491 0.70572574 1.0 O O18 1 0.42815956 0.68587961 0.68430853 1.0 O O19 1 0.50225539 0.00426125 0.20508902 1.0 O O20 1 0.36587806 0.83150681 0.01438199 1.0 O O21 1 0.85056516 0.63249509 0.29427426 1.0 O O22 1 0.71863409 0.47210350 0.10007897 1.0 O O23 1 0.75765569 0.59683787 0.85965496 1.0 O O24 1 0.63412194 0.16849319 0.98561801 1.0 O O25 1 0.44545340 0.84473720 0.44395510 1.0 O O26 1 0.88768931 0.76686767 0.05175779 1.0 O O27 1 0.24234431 0.40316213 0.14034504 1.0 O O28 1 0.28136591 0.52789650 0.89992103 1.0 O O29 1 0.55454660 0.15526280 0.55604490 1.0 O O30 1 0.80066672 0.44954527 0.52795681 1.0 O O31 1 0.05740708 0.07091662 0.59161486 1.0 O O32 1 0.96731984 0.07639139 0.16812537 1.0 O O33 1 0.12791792 0.23949198 0.37766007 1.0 O O34 1 0.19933328 0.55045473 0.47204319 1.0 O O35 1 0.11231069 0.23313233 0.94824221 1.0 O O36 1 0.87208208 0.76050802 0.62233993 1.0 O O37 1 0.03268016 0.92360861 0.83187463 1.0 O O38 1 0.32055621 0.71181350 0.24938260 1.0 O O39 1 0.49774461 0.99573875 0.79491098 1.0