# generated using pymatgen data_CsLi(B3O5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.80481657 _cell_length_b 8.80481657 _cell_length_c 8.80481657 _cell_angle_alpha 106.56385939 _cell_angle_beta 106.56385939 _cell_angle_gamma 115.45692088 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsLi(B3O5)2 _chemical_formula_sum 'Cs2 Li2 B12 O20' _cell_volume 521.11352590 _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 Cs Cs0 1 0.25000000 0.75000000 0.50000000 1.0 Cs Cs1 1 0.00000000 0.00000000 0.00000000 1.0 Li Li2 1 0.75000000 0.25000000 0.50000000 1.0 Li Li3 1 0.50000000 0.50000000 0.00000000 1.0 B B4 1 0.64454800 0.87500000 0.26954800 1.0 B B5 1 0.60545200 0.37500000 0.73045200 1.0 B B6 1 0.62500000 0.35545200 0.23045200 1.0 B B7 1 0.12500000 0.39454800 0.76954800 1.0 B B8 1 0.91941600 0.03940900 0.57868200 1.0 B B9 1 0.78927300 0.71059100 0.38000800 1.0 B B10 1 0.46072700 0.34073500 0.42131800 1.0 B B11 1 0.33058400 0.40926500 0.61999200 1.0 B B12 1 0.65926500 0.08058400 0.11999200 1.0 B B13 1 0.28940900 0.66941600 0.07868200 1.0 B B14 1 0.96059100 0.53927300 0.88000800 1.0 B B15 1 0.59073500 0.21072700 0.92131800 1.0 O O16 1 0.92159800 0.87500000 0.54659800 1.0 O O17 1 0.32840200 0.37500000 0.45340200 1.0 O O18 1 0.62500000 0.07840200 0.95340200 1.0 O O19 1 0.12500000 0.67159800 0.04659800 1.0 O O20 1 0.05900600 0.19751900 0.73816200 1.0 O O21 1 0.79064300 0.55248100 0.36148700 1.0 O O22 1 0.45935700 0.32084400 0.26183800 1.0 O O23 1 0.19099400 0.42915600 0.63851300 1.0 O O24 1 0.67915600 0.94099400 0.13851300 1.0 O O25 1 0.44751900 0.80900600 0.23816200 1.0 O O26 1 0.80248100 0.54064300 0.86148700 1.0 O O27 1 0.57084400 0.20935700 0.76183800 1.0 O O28 1 0.77619500 0.03260700 0.45573900 1.0 O O29 1 0.67313200 0.71739300 0.24358800 1.0 O O30 1 0.57686800 0.32045600 0.54426100 1.0 O O31 1 0.47380500 0.42954400 0.75641200 1.0 O O32 1 0.67954400 0.22380500 0.25641200 1.0 O O33 1 0.28260700 0.52619500 0.95573900 1.0 O O34 1 0.96739300 0.42313200 0.74358800 1.0 O O35 1 0.57045600 0.32686800 0.04426100 1.0