data_image0 _chemical_formula_structural BaHfO3SnZrO3SnZrO3BaHfO3 _chemical_formula_sum "Ba2 Hf2 O12 Sn2 Zr2" _cell_length_a 5.994669288615855 _cell_length_b 5.994669288615855 _cell_length_c 8.477742609902016 _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 0.9999599620357267 0.9999723112791684 0.9998866952978065 1.0000 Hf Hf1 1.0 0.49999974642384853 0.999997415496731 0.25002843474356595 1.0000 O O1 1.0 0.4999941027500909 1.3974796204608616e-05 0.0008755725829208389 1.0000 O O2 1.0 0.25071615127758545 0.24972684830427422 0.24992417624856694 1.0000 O O3 1.0 0.25061211411801326 0.7503856991322615 0.2499258146744829 1.0000 Sn Sn1 1.0 0.49961735385451017 0.4996019912177641 0.00047272115637579036 1.0000 Zr Zr1 1.0 0.999995851782488 0.49999843270250216 0.25003287435569144 1.0000 O O4 1.0 1.4131656376870083e-05 0.4999970247168762 0.9990789093441667 1.0000 O O5 1.0 0.7494370493383791 0.7504258335229822 0.24999342669625169 1.0000 O O6 1.0 0.749396787498798 0.2496232282173004 0.24992580859727428 1.0000 Sn Sn2 1.0 0.999596030456768 0.9996113208950693 0.5004953137063114 1.0000 Zr Zr2 1.0 0.500160975322229 0.0001559692501184528 0.7500253925166337 1.0000 O O7 1.0 0.500030314822441 0.9999807064608173 0.4990899058437887 1.0000 O O8 1.0 0.24975942261896078 0.25075217671149985 0.7500030130590423 1.0000 O O9 1.0 0.25125570873214914 0.7491260703018231 0.7500322892742938 1.0000 Ba Ba2 1.0 0.49994333050601697 0.49993089571993116 0.49986491298127583 1.0000 Hf Hf2 1.0 0.0001830443262840209 0.500202233866377 0.7500121313810183 1.0000 O O10 1.0 0.9999830962001546 0.500030804991909 0.5008830428948641 1.0000 O O11 1.0 0.7538398902618163 0.7526348009527605 0.7493852935334812 1.0000 O O12 1.0 0.7501217789818749 0.2523017631614714 0.7500319857457299 1.0000