# generated using pymatgen data_Ba3LaRu2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97883049 _cell_length_b 5.97883026 _cell_length_c 14.88167431 _cell_angle_alpha 89.99996337 _cell_angle_beta 90.00002472 _cell_angle_gamma 120.00001280 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3LaRu2O9 _chemical_formula_sum 'Ba6 La2 Ru4 O18' _cell_volume 460.69641856 _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 Ba Ba0 1 0.66666654 0.33333258 0.39515995 1.0 Ba Ba1 1 0.33333254 0.66666646 0.60476779 1.0 Ba Ba2 1 0.66666652 0.33333239 0.10493905 1.0 Ba Ba3 1 0.00000040 0.00000017 0.25000645 1.0 Ba Ba4 1 0.33333227 0.66666629 0.89512859 1.0 Ba Ba5 1 0.00000082 0.00000103 0.74999283 1.0 La La6 1 0.99999957 0.99999918 0.49999958 1.0 La La7 1 0.99999860 0.99999848 -0.00000772 1.0 Ru Ru8 1 0.33333405 0.66667048 0.16797191 1.0 Ru Ru9 1 0.66666695 0.33333160 0.83206207 1.0 Ru Ru10 1 0.66666872 0.33333679 0.66792710 1.0 Ru Ru11 1 0.33333167 0.66666624 0.33208243 1.0 O O12 1 0.49143202 0.98286323 0.25000502 1.0 O O13 1 0.35941176 0.17970565 0.59487224 1.0 O O14 1 0.64063045 0.82031510 0.09493680 1.0 O O15 1 0.17968464 0.35936888 0.09493637 1.0 O O16 1 0.17968513 0.82031494 0.09493664 1.0 O O17 1 0.50857823 0.01715678 0.74998067 1.0 O O18 1 0.82029459 0.17970552 0.59487234 1.0 O O19 1 0.82032376 0.64064795 0.90505584 1.0 O O20 1 0.82029440 0.64058770 0.59487239 1.0 O O21 1 0.82032329 0.17967559 0.90505566 1.0 O O22 1 0.17971348 0.35942705 0.40513958 1.0 O O23 1 0.01713691 0.50856770 0.25000509 1.0 O O24 1 0.64057230 0.82028644 0.40513989 1.0 O O25 1 0.49143239 0.50856788 0.25000508 1.0 O O26 1 0.35935142 0.17967565 0.90505571 1.0 O O27 1 0.50857927 0.49142300 0.74998035 1.0 O O28 1 0.98284372 0.49142313 0.74998073 1.0 O O29 1 0.17971359 0.82028610 0.40513957 1.0