data_image0 _chemical_formula_structural BaTiO3NaSbO3NaSbO3BaTiO3 _chemical_formula_sum "Ba2 Ti2 O12 Na2 Sb2" _cell_length_a 5.7045086951280615 _cell_length_b 5.7045086951280615 _cell_length_c 8.067393563325352 _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 0.00034301209439159736 7.021769244431964e-05 0.9999996385886102 1.0000 Ti Ti1 1.0 0.5000799159421077 7.353547369397438e-05 0.2500905187924298 1.0000 O O1 1.0 0.5002961249012182 0.00015002246168501312 0.0014316206658953788 1.0000 O O2 1.0 0.2514029145194918 0.2487399373942991 0.2500550472052976 1.0000 O O3 1.0 0.25135096084725456 0.7514195734891251 0.24998878126040794 1.0000 Na Na1 1.0 0.499852258788233 0.49998517124113456 0.0001430905972439279 1.0000 Sb Sb1 1.0 2.204927607385443e-06 0.5000054395224611 0.2500117631440231 1.0000 O O4 1.0 0.9999151473641114 0.5002003874428878 0.9985217655093619 1.0000 O O5 1.0 0.7486675566405205 0.7513596332367448 0.25001962318341864 1.0000 O O6 1.0 0.748731874923456 0.24866177254440475 0.24998832199631613 1.0000 Na Na2 1.0 0.9999825258345212 0.9998532294185412 0.5001458157487498 1.0000 Sb Sb2 1.0 0.5002949864254159 0.0005510750750811641 0.7499874827954449 1.0000 O O7 1.0 0.5000833881279997 0.00034956760079218907 0.4984578815844996 1.0000 O O8 1.0 0.24859819098806316 0.25143425688226617 0.7499744060213069 1.0000 O O9 1.0 0.2498693088651643 0.7479980808435186 0.7502695601625637 1.0000 Ba Ba2 1.0 0.5000661343514541 0.5003556883930774 0.5000041472740965 1.0000 Ti Ti2 1.0 0.0005360896137314164 0.5005581956801943 0.7499341727698157 1.0000 O O10 1.0 0.0001468435653457778 0.49996544386180397 0.5015205545567037 1.0000 O O11 1.0 0.7532609896071377 0.7501804307794603 0.7490808099663097 1.0000 O O12 1.0 0.7508742975851296 0.25305015928941316 0.7502686066798587 1.0000