# generated using pymatgen data_Li2SeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.89189400 _cell_length_b 8.93876898 _cell_length_c 9.87082052 _cell_angle_alpha 71.18925074 _cell_angle_beta 72.49191714 _cell_angle_gamma 66.47254098 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2SeO4 _chemical_formula_sum 'Li12 Se6 O24' _cell_volume 667.39112205 _cell_formula_units_Z 6 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 Li Li0 1 0.57891500 0.51526500 0.58868300 1.0 Li Li1 1 0.38861300 0.48769400 0.41884400 1.0 Li Li2 1 0.10352300 0.25871000 0.05486200 1.0 Li Li3 1 0.23011800 0.13697400 0.37406400 1.0 Li Li4 1 0.38649600 0.20709700 0.75409400 1.0 Li Li5 1 0.77039700 0.86500900 0.63287900 1.0 Li Li6 1 0.94137600 0.25049800 0.79630400 1.0 Li Li7 1 0.32002200 0.56495200 0.89621300 1.0 Li Li8 1 0.60832200 0.79558800 0.24745500 1.0 Li Li9 1 0.88973600 0.74444000 0.94972200 1.0 Li Li10 1 0.06156000 0.74264300 0.20174800 1.0 Li Li11 1 0.69013200 0.43342100 0.09918400 1.0 Se Se12 1 0.32422400 0.38305200 0.20466600 1.0 Se Se13 1 0.69093200 0.60727100 0.78645200 1.0 Se Se14 1 0.14160400 0.50485700 0.70936000 1.0 Se Se15 1 0.30363000 0.85623100 0.22547500 1.0 Se Se16 1 0.85547800 0.50139600 0.29431000 1.0 Se Se17 1 0.68877400 0.15077300 0.77507500 1.0 O O18 1 0.64288300 0.55254200 0.36991400 1.0 O O19 1 0.24313500 0.36134000 0.38563200 1.0 O O20 1 0.85777300 0.70379200 0.19018200 1.0 O O21 1 0.88314000 0.40381700 0.16077400 1.0 O O22 1 0.35461800 0.45318500 0.63111100 1.0 O O23 1 0.51083900 0.22448600 0.88804900 1.0 O O24 1 0.62999800 0.07840600 0.66695100 1.0 O O25 1 0.98562800 0.93474700 0.50660500 1.0 O O26 1 0.14749800 0.99687500 0.14202500 1.0 O O27 1 0.26688900 0.25081500 0.16105700 1.0 O O28 1 0.01975000 0.05585400 0.50673600 1.0 O O29 1 0.76464600 0.41906400 0.89631700 1.0 O O30 1 0.79005600 0.63568700 0.61073600 1.0 O O31 1 0.36247700 0.92210900 0.33835100 1.0 O O32 1 0.22332700 0.70476100 0.33263000 1.0 O O33 1 0.52767400 0.33135900 0.19265400 1.0 O O34 1 0.49397600 0.64536400 0.77758900 1.0 O O35 1 0.76645300 0.30243100 0.66428300 1.0 O O36 1 0.48158300 0.78290200 0.11268100 1.0 O O37 1 0.72206200 0.74557200 0.84635100 1.0 O O38 1 0.11771100 0.60163500 0.84223200 1.0 O O39 1 0.14001700 0.30178800 0.81053200 1.0 O O40 1 0.24699700 0.57447600 0.10023500 1.0 O O41 1 0.84701400 0.01112700 0.85698200 1.0