# generated using pymatgen data_Ba51(Pd12O5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.26043710 _cell_length_b 11.23115165 _cell_length_c 27.69006972 _cell_angle_alpha 89.78484932 _cell_angle_beta 90.14255707 _cell_angle_gamma 120.26129958 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba51(Pd12O5)2 _chemical_formula_sum 'Ba51 Pd24 O10' _cell_volume 3024.69448432 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 '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 Ba0 1 0.33335220 0.66684533 0.91623449 1.0 Ba Ba1 1 0.99929986 -0.00002873 0.25030680 1.0 Ba Ba2 1 0.66674542 0.33353377 0.58342486 1.0 Ba Ba3 1 0.13096655 0.86813269 0.96729083 1.0 Ba Ba4 1 0.79842530 0.20152377 0.30065296 1.0 Ba Ba5 1 0.46462785 0.53517623 0.63410048 1.0 Ba Ba6 1 0.13134064 0.26234797 0.96703808 1.0 Ba Ba7 1 0.79726705 0.59603210 0.30061161 1.0 Ba Ba8 1 0.46510041 0.92989259 0.63374560 1.0 Ba Ba9 1 0.33310861 0.66633210 0.76538706 1.0 Ba Ba10 1 0.00029081 0.99974154 0.09930707 1.0 Ba Ba11 1 0.66654722 0.33306341 0.43210054 1.0 Ba Ba12 1 0.73643451 0.86780640 0.96726728 1.0 Ba Ba13 1 0.40326131 0.20181383 0.30048113 1.0 Ba Ba14 1 0.07046716 0.53509037 0.63392960 1.0 Ba Ba15 1 0.78887576 0.57635774 0.88691647 1.0 Ba Ba16 1 0.45662634 0.91178292 0.21910330 1.0 Ba Ba17 1 0.12177959 0.24321783 0.55367623 1.0 Ba Ba18 1 0.56347771 0.46371365 0.77493899 1.0 Ba Ba19 1 0.21849940 0.78200532 0.10925756 1.0 Ba Ba20 1 0.89699094 0.13059697 0.44166060 1.0 Ba Ba21 1 0.43207998 0.21463376 0.89182459 1.0 Ba Ba22 1 0.08774395 0.54245735 0.21911674 1.0 Ba Ba23 1 0.76649913 0.88204607 0.55836142 1.0 Ba Ba24 1 0.54994653 0.09953006 0.77555079 1.0 Ba Ba25 1 0.19828397 0.43211428 0.10899704 1.0 Ba Ba26 1 0.88352751 0.76599904 0.44213379 1.0 Ba Ba27 1 0.78317331 0.21635765 0.89250262 1.0 Ba Ba28 1 0.44840549 0.55017326 0.22425653 1.0 Ba Ba29 1 0.11589097 0.88183372 0.55848583 1.0 Ba Ba30 1 0.90031833 0.46397207 0.77486737 1.0 Ba Ba31 1 0.56734981 0.80107616 0.10906379 1.0 Ba Ba32 1 0.23412852 0.13122301 0.44172646 1.0 Ba Ba33 1 0.87618458 0.75266688 0.69606997 1.0 Ba Ba34 1 0.54209021 0.08480990 0.03073279 1.0 Ba Ba35 1 0.20905838 0.41970484 0.36256654 1.0 Ba Ba36 1 0.10447195 0.86636535 0.80941095 1.0 Ba Ba37 1 0.78304685 0.21649851 0.14170275 1.0 Ba Ba38 1 0.43788301 0.53347856 0.47609650 1.0 Ba Ba39 1 0.23836940 0.11925059 0.69068403 1.0 Ba Ba40 1 0.91506322 0.45844527 0.03072569 1.0 Ba Ba41 1 0.57311564 0.78722110 0.35717403 1.0 Ba Ba42 1 0.11974528 0.23925383 0.80946795 1.0 Ba Ba43 1 0.80397312 0.57106152 0.14230522 1.0 Ba Ba44 1 0.45292386 0.90560303 0.47613928 1.0 Ba Ba45 1 0.88106144 0.11919146 0.69050647 1.0 Ba Ba46 1 0.54962800 0.45187946 0.02504435 1.0 Ba Ba47 1 0.21409383 0.78479550 0.35733347 1.0 Ba Ba48 1 0.76238119 0.86633495 0.80930421 1.0 Ba Ba49 1 0.42839509 0.19611621 0.14223328 1.0 Ba Ba50 1 0.09559773 0.53273738 0.47615397 1.0 Pd Pd51 1 0.47765774 0.51709370 0.88014330 1.0 Pd Pd52 1 0.14826483 0.85562624 0.21399560 1.0 Pd Pd53 1 0.81110829 0.18427003 0.54687885 1.0 Pd Pd54 1 0.47967476 0.95982378 0.87924667 1.0 Pd Pd55 1 0.14865713 0.29231009 0.21357987 1.0 Pd Pd56 1 0.81264536 0.62607230 0.54627402 1.0 Pd Pd57 1 0.66455772 0.33026803 0.69324113 1.0 Pd Pd58 1 0.33653707 0.66558337 0.02613324 1.0 Pd Pd59 1 0.99726338 0.99620041 0.35997124 1.0 Pd Pd60 1 0.04035540 0.51818666 0.87919763 1.0 Pd Pd61 1 0.70685005 0.85166091 0.21437597 1.0 Pd Pd62 1 0.37259773 0.18433401 0.54721618 1.0 Pd Pd63 1 0.19483247 0.80792151 0.70135200 1.0 Pd Pd64 1 0.86082294 0.13975635 0.03412778 1.0 Pd Pd65 1 0.52705026 0.47388892 0.36804378 1.0 Pd Pd66 1 0.19319561 0.38619407 0.70163166 1.0 Pd Pd67 1 0.86056848 0.72191401 0.03465373 1.0 Pd Pd68 1 0.52667040 0.05288462 0.36844332 1.0 Pd Pd69 1 0.00041759 0.00121525 0.89500828 1.0 Pd Pd70 1 0.66623166 0.33419565 0.22866123 1.0 Pd Pd71 1 0.33406662 0.66824046 0.56165839 1.0 Pd Pd72 1 0.61274068 0.80759233 0.70140036 1.0 Pd Pd73 1 0.27961912 0.14038738 0.03400042 1.0 Pd Pd74 1 0.94547212 0.47342460 0.36864027 1.0 O O75 1 0.66336539 0.32703386 0.83426481 1.0 O O76 1 0.33612621 0.66374885 0.16826685 1.0 O O77 1 0.99663568 0.99392280 0.50105263 1.0 O O78 1 0.00123611 0.00256399 0.74896782 1.0 O O79 1 0.66604731 0.33545614 0.08186236 1.0 O O80 1 0.33430367 0.66958531 0.41559789 1.0 O O81 1 0.50114579 0.00071357 0.12506617 1.0 O O82 1 0.16686797 0.33354433 0.45796583 1.0 O O83 1 0.83378766 0.66702656 0.79130306 1.0 O O84 1 0.99937888 0.49888432 0.12514072 1.0