data_image0 _chemical_formula_structural CaZrO3YAlO3YAlO3CaZrO3 _chemical_formula_sum "Ca2 Zr2 O12 Y2 Al2" _cell_length_a 5.6021771053561205 _cell_length_b 5.6021771053561205 _cell_length_c 7.922674841210673 _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 Ca Ca1 1.0 0.9817627880056946 0.9974967116091235 0.012831673420946302 1.0000 Zr Zr1 1.0 0.49750143174124667 0.9970234920036174 0.25483544769771255 1.0000 O O1 1.0 0.508225738236436 0.0981354867079869 0.9903350969601526 1.0000 O O2 1.0 0.2954965583853429 0.30734980731952705 0.28160112143866906 1.0000 O O3 1.0 0.21469329606072446 0.7677269301187194 0.19925954795963835 1.0000 Y Y1 1.0 0.44889428870260567 0.49781718699846766 0.028420149953376442 1.0000 Al Al1 1.0 0.9971252613719442 0.49679478201743954 0.25458011126903707 1.0000 O O4 1.0 0.022651036588438034 0.4153817385161285 0.010497587480147237 1.0000 O O5 1.0 0.7180307087571502 0.6891722119039532 0.19870407976719984 1.0000 O O6 1.0 0.8183080599592202 0.20399848395367054 0.29792999263519987 1.0000 Y Y2 1.0 0.9487677449049668 0.9973541331357383 0.5283877046459092 1.0000 Al Al2 1.0 0.4955883108176202 0.9982195184257691 0.7546295652991167 1.0000 O O7 1.0 0.5219466943975627 0.9162056696978451 0.5109388180323184 1.0000 O O8 1.0 0.21549887342078422 0.19059143933900874 0.6985649944640558 1.0000 O O9 1.0 0.31453045829454357 0.706891513064856 0.7987582028636498 1.0000 Ca Ca2 1.0 0.47199967126374354 0.4982406807120513 0.5157689573143937 1.0000 Zr Zr2 1.0 0.9938487950530406 0.49792647294586817 0.7552021062021643 1.0000 O O10 1.0 0.011747709759058589 0.5974136564115614 0.4907621494048224 1.0000 O O11 1.0 0.7929126178886714 0.8082525329540816 0.7820810405452222 1.0000 O O12 1.0 0.7115988800854323 0.26995945166787205 0.6993367476091601 1.0000