# generated using pymatgen data_LiSc(SiO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.06202500 _cell_length_b 5.39863100 _cell_length_c 9.50047412 _cell_angle_alpha 78.45871275 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSc(SiO3)2 _chemical_formula_sum 'Li4 Sc4 Si8 O24' _cell_volume 455.38958916 _cell_formula_units_Z 4 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 0.99988600 0.99190500 0.24724700 1.0 Li Li1 1 0.50011400 0.49190500 0.24724700 1.0 Li Li2 1 0.00011400 0.00809500 0.75275300 1.0 Li Li3 1 0.49988600 0.50809500 0.75275300 1.0 Sc Sc4 1 0.85797700 0.48963000 0.25054300 1.0 Sc Sc5 1 0.35797700 0.01037000 0.74945700 1.0 Sc Sc6 1 0.14202300 0.51037000 0.74945700 1.0 Sc Sc7 1 0.64202300 0.98963000 0.25054300 1.0 Si Si8 1 0.66361900 0.22095800 0.54797400 1.0 Si Si9 1 0.16361900 0.27904200 0.45202600 1.0 Si Si10 1 0.33638100 0.77904200 0.45202600 1.0 Si Si11 1 0.83638100 0.72095800 0.54797400 1.0 Si Si12 1 0.16408300 0.73902200 0.04894100 1.0 Si Si13 1 0.66408300 0.76097800 0.95105900 1.0 Si Si14 1 0.83591700 0.26097800 0.95105900 1.0 Si Si15 1 0.33591700 0.23902200 0.04894100 1.0 O O16 1 0.76996300 0.43271600 0.60042500 1.0 O O17 1 0.73003700 0.93271600 0.60042500 1.0 O O18 1 0.23003700 0.56728400 0.39957500 1.0 O O19 1 0.26996300 0.06728400 0.39957500 1.0 O O20 1 0.50515700 0.23483200 0.62485600 1.0 O O21 1 0.00515700 0.26516800 0.37514400 1.0 O O22 1 0.49484300 0.76516800 0.37514400 1.0 O O23 1 0.99484300 0.73483200 0.62485600 1.0 O O24 1 0.33302700 0.29593900 0.87151100 1.0 O O25 1 0.83302700 0.20406100 0.12848900 1.0 O O26 1 0.66697300 0.70406100 0.12848900 1.0 O O27 1 0.16697300 0.79593900 0.87151100 1.0 O O28 1 0.49830500 0.20926800 0.12094400 1.0 O O29 1 0.99830500 0.29073200 0.87905600 1.0 O O30 1 0.50169500 0.79073200 0.87905600 1.0 O O31 1 0.00169500 0.70926800 0.12094400 1.0 O O32 1 0.26221100 0.48074600 0.10555800 1.0 O O33 1 0.76221100 0.01925400 0.89444200 1.0 O O34 1 0.73778900 0.51925400 0.89444200 1.0 O O35 1 0.23778900 0.98074600 0.10555800 1.0 O O36 1 0.66422900 0.27901300 0.37013800 1.0 O O37 1 0.16422900 0.22098700 0.62986200 1.0 O O38 1 0.33577100 0.72098700 0.62986200 1.0 O O39 1 0.83577100 0.77901300 0.37013800 1.0