# generated using pymatgen data_Ti10C8O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.09875912 _cell_length_b 8.09166206 _cell_length_c 10.14336983 _cell_angle_alpha 62.90805594 _cell_angle_beta 62.89517603 _cell_angle_gamma 44.41753959 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti10C8O _chemical_formula_sum 'Ti20 C16 O2' _cell_volume 405.01722848 _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 0.23787864 0.47851696 0.94284196 1.0 Ti Ti1 1 0.71971223 0.96768699 0.95944488 1.0 Ti Ti2 1 0.56268796 0.33195285 0.64781471 1.0 Ti Ti3 1 0.43731204 0.66804715 0.35218529 1.0 Ti Ti4 1 0.28028777 0.03231301 0.04055512 1.0 Ti Ti5 1 0.08538207 0.81538004 0.63985137 1.0 Ti Ti6 1 0.12640094 0.36721152 0.74793616 1.0 Ti Ti7 1 0.91461793 0.18461996 0.36014863 1.0 Ti Ti8 1 0.96672580 0.72066325 0.45746579 1.0 Ti Ti9 1 0.76212136 0.52148304 0.05715804 1.0 Ti Ti10 1 0.62142885 0.88191841 0.74580806 1.0 Ti Ti11 1 0.81358478 0.08236341 0.14377953 1.0 Ti Ti12 1 0.47776344 0.22466087 0.44628979 1.0 Ti Ti13 1 0.67112259 0.43718263 0.85103712 1.0 Ti Ti14 1 0.52223656 0.77533913 0.55371021 1.0 Ti Ti15 1 0.32887741 0.56281737 0.14896288 1.0 Ti Ti16 1 0.37857115 0.11808159 0.25419194 1.0 Ti Ti17 1 0.18641522 0.91763659 0.85622047 1.0 Ti Ti18 1 0.03327420 0.27933675 0.54253421 1.0 Ti Ti19 1 0.87359906 0.63278848 0.25206384 1.0 C C20 1 0.57571332 0.82579398 0.14805378 1.0 C C21 1 0.77798797 0.02406909 0.55129626 1.0 C C22 1 0.42428668 0.17420602 0.85194622 1.0 C C23 1 0.62797266 0.37456221 0.24886581 1.0 C C24 1 0.27334378 0.52867830 0.55038904 1.0 C C25 1 0.47486070 0.72566453 0.95143829 1.0 C C26 1 0.32262291 0.07534810 0.65150667 1.0 C C27 1 0.17438337 0.42458310 0.35019265 1.0 C C28 1 0.97477999 0.22569407 0.95122682 1.0 C C29 1 0.82561663 0.57541690 0.64980735 1.0 C C30 1 0.02522001 0.77430593 0.04877318 1.0 C C31 1 0.67737709 0.92465190 0.34849333 1.0 C C32 1 0.72665622 0.47132170 0.44961096 1.0 C C33 1 0.52513930 0.27433547 0.04856171 1.0 C C34 1 0.37202734 0.62543779 0.75113419 1.0 C C35 1 0.22201203 0.97593091 0.44870374 1.0 O O36 1 0.07431975 0.32234602 0.14829293 1.0 O O37 1 0.92568025 0.67765398 0.85170707 1.0