# generated using pymatgen data_Zr9ScO20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38604300 _cell_length_b 7.35989203 _cell_length_c 8.12595694 _cell_angle_alpha 77.10475125 _cell_angle_beta 75.36839551 _cell_angle_gamma 72.19285739 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9ScO20 _chemical_formula_sum 'Zr9 Sc1 O20' _cell_volume 347.39292106 _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 Zr Zr0 1 0.99942700 0.00172200 0.99865300 1.0 Zr Zr1 1 0.39985400 0.59888800 0.20174100 1.0 Zr Zr2 1 0.00009700 0.49851900 0.99492600 1.0 Zr Zr3 1 0.80029000 0.20018100 0.40250100 1.0 Zr Zr4 1 0.39804100 0.10066900 0.20561000 1.0 Zr Zr5 1 0.20067500 0.80023900 0.59933000 1.0 Zr Zr6 1 0.80615200 0.69604500 0.40025900 1.0 Zr Zr7 1 0.60102900 0.39924300 0.79770500 1.0 Zr Zr8 1 0.59423500 0.90431500 0.79930600 1.0 Sc Sc9 1 0.20055200 0.29999800 0.59964700 1.0 O O10 1 0.37533600 0.91741300 0.04360600 1.0 O O11 1 0.77572300 0.51772300 0.23949700 1.0 O O12 1 0.32278400 0.38239700 0.05975000 1.0 O O13 1 0.02361100 0.18308100 0.15865800 1.0 O O14 1 0.17238200 0.11521200 0.44365800 1.0 O O15 1 0.42646100 0.78307700 0.35854200 1.0 O O16 1 0.72623300 0.98163300 0.25806100 1.0 O O17 1 0.57625900 0.71731100 0.64060300 1.0 O O18 1 0.07624200 0.71718000 0.14084400 1.0 O O19 1 0.82220900 0.38845100 0.55542900 1.0 O O20 1 0.12952600 0.58418200 0.45728300 1.0 O O21 1 0.47814500 0.31438400 0.33808700 1.0 O O22 1 0.97342300 0.31463100 0.84130600 1.0 O O23 1 0.22858500 0.97828400 0.76121700 1.0 O O24 1 0.52743000 0.18543200 0.65739100 1.0 O O25 1 0.87441600 0.91577400 0.54187600 1.0 O O26 1 0.62281200 0.58288300 0.95806600 1.0 O O27 1 0.92154200 0.78473100 0.85873000 1.0 O O28 1 0.27282900 0.51944200 0.74584900 1.0 O O29 1 0.67369100 0.11696400 0.94186500 1.0