# generated using pymatgen data_Ba12Na15Li8N6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.11325935 _cell_length_b 13.11325935 _cell_length_c 13.11325897 _cell_angle_alpha 56.35117540 _cell_angle_beta 56.35117540 _cell_angle_gamma 56.35117416 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba12Na15Li8N6 _chemical_formula_sum 'Ba12 Na15 Li8 N6' _cell_volume 1459.90450784 _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 0.98017200 0.32217400 0.98017200 1.0 Ba Ba1 1 0.72648000 0.72648000 0.36138900 1.0 Ba Ba2 1 0.72648000 0.36138900 0.72648000 1.0 Ba Ba3 1 0.67782600 0.01982800 0.01982800 1.0 Ba Ba4 1 0.98017200 0.98017200 0.32217400 1.0 Ba Ba5 1 0.36138900 0.72648000 0.72648000 1.0 Ba Ba6 1 0.63861100 0.27352000 0.27352000 1.0 Ba Ba7 1 0.27352000 0.27352000 0.63861100 1.0 Ba Ba8 1 0.01982800 0.01982800 0.67782600 1.0 Ba Ba9 1 0.32217400 0.98017200 0.98017200 1.0 Ba Ba10 1 0.01982800 0.67782600 0.01982800 1.0 Ba Ba11 1 0.27352000 0.63861100 0.27352000 1.0 Na Na12 1 0.35358000 0.35358000 0.85524300 1.0 Na Na13 1 0.39756600 0.08477300 0.39756600 1.0 Na Na14 1 0.60243400 0.60243400 0.91522700 1.0 Na Na15 1 0.35358000 0.85524300 0.35358000 1.0 Na Na16 1 0.91522700 0.60243400 0.60243400 1.0 Na Na17 1 0.20200800 0.20200800 0.20200800 1.0 Na Na18 1 0.85524300 0.35358000 0.35358000 1.0 Na Na19 1 0.50000000 0.50000000 0.50000000 1.0 Na Na20 1 0.08477300 0.39756600 0.39756600 1.0 Na Na21 1 0.14475700 0.64642000 0.64642000 1.0 Na Na22 1 0.39756600 0.39756600 0.08477300 1.0 Na Na23 1 0.60243400 0.91522700 0.60243400 1.0 Na Na24 1 0.64642000 0.64642000 0.14475700 1.0 Na Na25 1 0.64642000 0.14475700 0.64642000 1.0 Na Na26 1 0.79799200 0.79799200 0.79799200 1.0 Li Li27 1 0.03847800 0.03847800 0.03847800 1.0 Li Li28 1 0.96152200 0.96152200 0.96152200 1.0 Li Li29 1 0.20292800 0.00000000 0.79707200 1.0 Li Li30 1 0.79707200 0.20292800 0.00000000 1.0 Li Li31 1 0.20292800 0.79707200 0.00000000 1.0 Li Li32 1 0.00000000 0.79707200 0.20292800 1.0 Li Li33 1 0.00000000 0.20292800 0.79707200 1.0 Li Li34 1 0.79707200 0.00000000 0.20292800 1.0 N N35 1 0.85440600 0.85440600 0.14470600 1.0 N N36 1 0.14559400 0.14559400 0.85529400 1.0 N N37 1 0.14470600 0.85440600 0.85440600 1.0 N N38 1 0.14559400 0.85529400 0.14559400 1.0 N N39 1 0.85529400 0.14559400 0.14559400 1.0 N N40 1 0.85440600 0.14470600 0.85440600 1.0