# generated using pymatgen data_LiScSiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86424600 _cell_length_b 6.03278800 _cell_length_c 10.52991500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScSiO4 _chemical_formula_sum 'Li4 Sc4 Si4 O16' _cell_volume 308.99998605 _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 0.00000000 0.00000000 0.00000000 1.0 Li Li1 1 0.50000000 0.00000000 0.50000000 1.0 Li Li2 1 0.00000000 0.50000000 0.00000000 1.0 Li Li3 1 0.50000000 0.50000000 0.50000000 1.0 Sc Sc4 1 0.50543500 0.25000000 0.22531200 1.0 Sc Sc5 1 0.99456500 0.25000000 0.72531200 1.0 Sc Sc6 1 0.49456500 0.75000000 0.77468800 1.0 Sc Sc7 1 0.00543500 0.75000000 0.27468800 1.0 Si Si8 1 0.56625700 0.75000000 0.09154200 1.0 Si Si9 1 0.43374300 0.25000000 0.90845800 1.0 Si Si10 1 0.93374300 0.75000000 0.59154200 1.0 Si Si11 1 0.06625700 0.25000000 0.40845800 1.0 O O12 1 0.78438700 0.53958300 0.66877700 1.0 O O13 1 0.21561300 0.46041700 0.33122300 1.0 O O14 1 0.71561300 0.53958300 0.16877700 1.0 O O15 1 0.78438700 0.96041700 0.66877700 1.0 O O16 1 0.28438700 0.03958300 0.83122300 1.0 O O17 1 0.76644800 0.25000000 0.89915200 1.0 O O18 1 0.28438700 0.46041700 0.83122300 1.0 O O19 1 0.21561300 0.03958300 0.33122300 1.0 O O20 1 0.23355200 0.75000000 0.10084800 1.0 O O21 1 0.73355200 0.25000000 0.39915200 1.0 O O22 1 0.80448100 0.75000000 0.44809700 1.0 O O23 1 0.26644800 0.75000000 0.60084800 1.0 O O24 1 0.69551900 0.75000000 0.94809700 1.0 O O25 1 0.30448100 0.25000000 0.05190300 1.0 O O26 1 0.19551900 0.25000000 0.55190300 1.0 O O27 1 0.71561300 0.96041700 0.16877700 1.0