# generated using pymatgen data_Mg3Ti9O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.68762354 _cell_length_b 10.68763927 _cell_length_c 5.21515454 _cell_angle_alpha 82.70320343 _cell_angle_beta 82.69890197 _cell_angle_gamma 138.73610925 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3Ti9O20 _chemical_formula_sum 'Mg3 Ti9 O20' _cell_volume 366.45704033 _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 Mg Mg0 1 0.22317143 0.72464941 0.60857192 1.0 Mg Mg1 1 0.72467117 0.22312185 0.60857622 1.0 Mg Mg2 1 0.27985005 0.27988959 0.38834841 1.0 Ti Ti3 1 0.96549757 0.64671722 0.27454345 1.0 Ti Ti4 1 0.53401456 0.34712398 0.73275729 1.0 Ti Ti5 1 0.34712112 0.53402249 0.73273701 1.0 Ti Ti6 1 0.85204633 0.03925674 0.72809683 1.0 Ti Ti7 1 0.46705827 0.15158090 0.26843532 1.0 Ti Ti8 1 0.64672456 0.96547901 0.27459012 1.0 Ti Ti9 1 0.15156263 0.46702948 0.26849868 1.0 Ti Ti10 1 0.77855059 0.77856989 0.39014987 1.0 Ti Ti11 1 0.03924808 0.85204946 0.72810664 1.0 O O12 1 0.37489668 0.68819687 0.37406014 1.0 O O13 1 0.01532249 0.51600397 0.44047578 1.0 O O14 1 0.49585809 0.49588441 0.54890436 1.0 O O15 1 0.31040716 0.12896131 0.62675348 1.0 O O16 1 0.12890515 0.31038347 0.62679329 1.0 O O17 1 0.81062736 0.62786478 0.62271438 1.0 O O18 1 0.57974371 0.21539600 0.90721911 1.0 O O19 1 0.71848101 0.07949974 0.91025733 1.0 O O20 1 0.21541152 0.57973958 0.90720002 1.0 O O21 1 0.07949432 0.71845869 0.91030499 1.0 O O22 1 0.28481029 0.42153863 0.09144858 1.0 O O23 1 0.78521648 0.91640078 0.09824958 1.0 O O24 1 0.91637704 0.78522516 0.09826804 1.0 O O25 1 0.42153789 0.28482548 0.09141812 1.0 O O26 1 0.68818660 0.37486230 0.37408393 1.0 O O27 1 0.18754468 0.87596059 0.37798902 1.0 O O28 1 0.87595941 0.18751082 0.37799729 1.0 O O29 1 0.51603579 0.01529876 0.44046673 1.0 O O30 1 0.98083355 0.98087404 0.55360579 1.0 O O31 1 0.62787040 0.81066162 0.62273829 1.0