data_image0 _chemical_formula_structural BaSnO3BaSnO3BaSnO3BaSnO3BaSnO3BaTaNO2BaTaNO2BaTaNO2BaTaNO2BaTaNO2BaTaNO2 _chemical_formula_sum "Ba11 Sn5 O27 Ta6 N6" _cell_length_a 4.1 _cell_length_b 4.1 _cell_length_c 45.1 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz '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 Ba1 1.0 0.0 0.0 0.0 1.0000 Sn Sn1 1.0 0.5 0.5 0.04545454545454545 1.0000 O O1 1.0 0.5 0.0 0.04545454545454545 1.0000 O O2 1.0 0.5 0.5 0.0 1.0000 O O3 1.0 0.0 0.5 0.04545454545454545 1.0000 Ba Ba2 1.0 0.0 0.0 0.0909090909090909 1.0000 Sn Sn2 1.0 0.5 0.5 0.13636363636363635 1.0000 O O4 1.0 0.5 0.0 0.13636363636363635 1.0000 O O5 1.0 0.5 0.5 0.0909090909090909 1.0000 O O6 1.0 0.0 0.5 0.13636363636363635 1.0000 Ba Ba3 1.0 0.0 0.0 0.1818181818181818 1.0000 Sn Sn3 1.0 0.5 0.5 0.22727272727272727 1.0000 O O7 1.0 0.5 0.0 0.22727272727272727 1.0000 O O8 1.0 0.5 0.5 0.1818181818181818 1.0000 O O9 1.0 0.0 0.5 0.22727272727272727 1.0000 Ba Ba4 1.0 0.0 0.0 0.2727272727272727 1.0000 Sn Sn4 1.0 0.5 0.5 0.3181818181818181 1.0000 O O10 1.0 0.5 0.0 0.3181818181818181 1.0000 O O11 1.0 0.5 0.5 0.2727272727272727 1.0000 O O12 1.0 0.0 0.5 0.3181818181818181 1.0000 Ba Ba5 1.0 0.0 0.0 0.3636363636363636 1.0000 Sn Sn5 1.0 0.5 0.5 0.40909090909090906 1.0000 O O13 1.0 0.5 0.0 0.40909090909090906 1.0000 O O14 1.0 0.5 0.5 0.3636363636363636 1.0000 O O15 1.0 0.0 0.5 0.40909090909090906 1.0000 Ba Ba6 1.0 0.0 0.0 0.45454545454545453 1.0000 Ta Ta1 1.0 0.5 0.5 0.5 1.0000 N N1 1.0 0.5 0.0 0.5 1.0000 O O16 1.0 0.5 0.5 0.45454545454545453 1.0000 O O17 1.0 0.0 0.5 0.5 1.0000 Ba Ba7 1.0 0.0 0.0 0.5454545454545454 1.0000 Ta Ta2 1.0 0.5 0.5 0.5909090909090908 1.0000 N N2 1.0 0.5 0.0 0.5909090909090908 1.0000 O O18 1.0 0.5 0.5 0.5454545454545454 1.0000 O O19 1.0 0.0 0.5 0.5909090909090908 1.0000 Ba Ba8 1.0 0.0 0.0 0.6363636363636362 1.0000 Ta Ta3 1.0 0.5 0.5 0.6818181818181818 1.0000 N N3 1.0 0.5 0.0 0.6818181818181818 1.0000 O O20 1.0 0.5 0.5 0.6363636363636362 1.0000 O O21 1.0 0.0 0.5 0.6818181818181818 1.0000 Ba Ba9 1.0 0.0 0.0 0.7272727272727272 1.0000 Ta Ta4 1.0 0.5 0.5 0.7727272727272727 1.0000 N N4 1.0 0.5 0.0 0.7727272727272727 1.0000 O O22 1.0 0.5 0.5 0.7272727272727272 1.0000 O O23 1.0 0.0 0.5 0.7727272727272727 1.0000 Ba Ba10 1.0 0.0 0.0 0.8181818181818181 1.0000 Ta Ta5 1.0 0.5 0.5 0.8636363636363636 1.0000 N N5 1.0 0.5 0.0 0.8636363636363636 1.0000 O O24 1.0 0.5 0.5 0.8181818181818181 1.0000 O O25 1.0 0.0 0.5 0.8636363636363636 1.0000 Ba Ba11 1.0 0.0 0.0 0.9090909090909091 1.0000 Ta Ta6 1.0 0.5 0.5 0.9545454545454544 1.0000 N N6 1.0 0.5 0.0 0.9545454545454544 1.0000 O O26 1.0 0.5 0.5 0.9090909090909091 1.0000 O O27 1.0 0.0 0.5 0.9545454545454544 1.0000