# generated using pymatgen data_BaYb3(NO3)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.58620531 _cell_length_b 7.58620591 _cell_length_c 7.58620467 _cell_angle_alpha 92.60316089 _cell_angle_beta 92.60315598 _cell_angle_gamma 92.60316788 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYb3(NO3)8 _chemical_formula_sum 'Ba1 Yb3 N8 O24' _cell_volume 435.19596091 _cell_formula_units_Z 1 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 0.50000000 0.50000000 0.50000000 1.0 Yb Yb1 1 0.50000000 0.00000000 0.00000000 1.0 Yb Yb2 1 0.00000000 0.00000000 0.50000000 1.0 Yb Yb3 1 0.00000000 0.50000000 0.00000000 1.0 N N4 1 0.65681817 0.86026089 0.31166960 1.0 N N5 1 0.34318183 0.13973911 0.68833040 1.0 N N6 1 0.16492457 0.16492457 0.16492457 1.0 N N7 1 0.86026089 0.31166960 0.65681817 1.0 N N8 1 0.31166960 0.65681817 0.86026089 1.0 N N9 1 0.83507543 0.83507543 0.83507543 1.0 N N10 1 0.13973911 0.68833040 0.34318183 1.0 N N11 1 0.68833040 0.34318183 0.13973911 1.0 O O12 1 0.03911617 0.19205637 0.26349448 1.0 O O13 1 0.81347985 0.45890162 0.71770092 1.0 O O14 1 0.23900716 0.73180096 0.98631570 1.0 O O15 1 0.96088383 0.80794363 0.73650552 1.0 O O16 1 0.18652015 0.54109838 0.28229908 1.0 O O17 1 0.76099284 0.26819904 0.01368430 1.0 O O18 1 0.26349448 0.03911617 0.19205637 1.0 O O19 1 0.78202932 0.23689036 0.52162878 1.0 O O20 1 0.45890162 0.71770092 0.81347985 1.0 O O21 1 0.73650552 0.96088383 0.80794363 1.0 O O22 1 0.21797068 0.76310964 0.47837122 1.0 O O23 1 0.54109838 0.28229908 0.18652015 1.0 O O24 1 0.19205637 0.26349448 0.03911617 1.0 O O25 1 0.98631570 0.23900716 0.73180096 1.0 O O26 1 0.23689036 0.52162878 0.78202932 1.0 O O27 1 0.80794363 0.73650552 0.96088383 1.0 O O28 1 0.01368430 0.76099284 0.26819904 1.0 O O29 1 0.76310964 0.47837122 0.21797068 1.0 O O30 1 0.73180096 0.98631570 0.23900716 1.0 O O31 1 0.71770092 0.81347985 0.45890162 1.0 O O32 1 0.52162878 0.78202932 0.23689036 1.0 O O33 1 0.26819904 0.01368430 0.76099284 1.0 O O34 1 0.28229908 0.18652015 0.54109838 1.0 O O35 1 0.47837122 0.21797068 0.76310964 1.0