data_image0 _chemical_formula_structural BaHfO3KSbO3KSbO3BaHfO3 _chemical_formula_sum "Ba2 Hf2 O12 K2 Sb2" _cell_length_a 5.884130587648424 _cell_length_b 5.884130587648424 _cell_length_c 8.321417279826772 _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 0.00024865214244060264 0.00015063094781217284 0.9999559148969646 1.0000 Hf Hf1 1.0 0.5000574689888759 4.788357901547737e-05 0.2500080026559753 1.0000 O O1 1.0 0.5001507300626522 0.00014326255279315667 0.9947847133477158 1.0000 O O2 1.0 0.24472306104787533 0.2555644977001688 0.25006570798378325 1.0000 O O3 1.0 0.24459167240801535 0.7446469843875972 0.24998106323075386 1.0000 K K1 1.0 0.5001144579999749 0.5001595890012068 1.3326059965401814e-05 1.0000 Sb Sb1 1.0 4.6983099857733635e-05 0.500049725018398 0.2500100030007667 1.0000 O O4 1.0 6.358013096519066e-05 0.5000653767333171 0.005218665793411495 1.0000 O O5 1.0 0.7554090560207167 0.7445660320553226 0.25000680819691196 1.0000 O O6 1.0 0.7554881505974471 0.25543514633216396 0.24998142805246287 1.0000 K K2 1.0 0.00017521210479531194 0.00012673990649660646 0.4999977507057864 1.0000 Sb Sb2 1.0 0.5003906304297029 0.0003767073351759546 0.7499925116206405 1.0000 O O7 1.0 0.5001566102101569 0.00013572264927952344 0.505210206481435 1.0000 O O8 1.0 0.2553737633610231 0.24449412628925846 0.7499932328666076 1.0000 O O9 1.0 0.25703975998788564 0.7545824596655115 0.7500121825184585 1.0000 Ba Ba2 1.0 0.5001320609484488 0.5002243560004946 0.4999372424835716 1.0000 Hf Hf2 1.0 0.00048300039903703684 0.5004865669603535 0.7499868403849803 1.0000 O O10 1.0 5.966958525394084e-05 0.5000684494704948 0.4947891755715587 1.0000 O O11 1.0 0.7462977537556668 0.7571433745172014 0.7499927737847916 1.0000 O O12 1.0 0.7437614383980936 0.24623452541366883 0.7500115933273659 1.0000