data_image0 _chemical_formula_structural BaSnO3BaSnO3BaSnO3BaTaNO2BaTaNO2BaTaNO2BaTaNO2 _chemical_formula_sum "Ba7 Sn3 O17 Ta4 N4" _cell_length_a 4.1 _cell_length_b 4.1 _cell_length_c 28.7 _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 0.07142857142857142 1.0000 O O1 1.0 0.5 0.0 0.07142857142857142 1.0000 O O2 1.0 0.5 0.5 0.0 1.0000 O O3 1.0 0.0 0.5 0.07142857142857142 1.0000 Ba Ba2 1.0 0.0 0.0 0.14285714285714285 1.0000 Sn Sn2 1.0 0.5 0.5 0.21428571428571427 1.0000 O O4 1.0 0.5 0.0 0.21428571428571427 1.0000 O O5 1.0 0.5 0.5 0.14285714285714285 1.0000 O O6 1.0 0.0 0.5 0.21428571428571427 1.0000 Ba Ba3 1.0 0.0 0.0 0.2857142857142857 1.0000 Sn Sn3 1.0 0.5 0.5 0.35714285714285715 1.0000 O O7 1.0 0.5 0.0 0.35714285714285715 1.0000 O O8 1.0 0.5 0.5 0.2857142857142857 1.0000 O O9 1.0 0.0 0.5 0.35714285714285715 1.0000 Ba Ba4 1.0 0.0 0.0 0.42857142857142855 1.0000 Ta Ta1 1.0 0.5 0.5 0.49999999999999994 1.0000 N N1 1.0 0.5 0.0 0.49999999999999994 1.0000 O O10 1.0 0.5 0.5 0.42857142857142855 1.0000 O O11 1.0 0.0 0.5 0.49999999999999994 1.0000 Ba Ba5 1.0 0.0 0.0 0.5714285714285714 1.0000 Ta Ta2 1.0 0.5 0.5 0.6428571428571428 1.0000 N N2 1.0 0.5 0.0 0.6428571428571428 1.0000 O O12 1.0 0.5 0.5 0.5714285714285714 1.0000 O O13 1.0 0.0 0.5 0.6428571428571428 1.0000 Ba Ba6 1.0 0.0 0.0 0.7142857142857143 1.0000 Ta Ta3 1.0 0.5 0.5 0.7857142857142857 1.0000 N N3 1.0 0.5 0.0 0.7857142857142857 1.0000 O O14 1.0 0.5 0.5 0.7142857142857143 1.0000 O O15 1.0 0.0 0.5 0.7857142857142857 1.0000 Ba Ba7 1.0 0.0 0.0 0.8571428571428571 1.0000 Ta Ta4 1.0 0.5 0.5 0.9285714285714285 1.0000 N N4 1.0 0.5 0.0 0.9285714285714285 1.0000 O O16 1.0 0.5 0.5 0.8571428571428571 1.0000 O O17 1.0 0.0 0.5 0.9285714285714285 1.0000