# generated using pymatgen data_K5Na3Ta3Nb5O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.49884390 _cell_length_b 11.51270857 _cell_length_c 17.80944120 _cell_angle_alpha 108.99397442 _cell_angle_beta 108.70007065 _cell_angle_gamma 90.27117390 _symmetry_Int_Tables_number 1 _chemical_formula_structural K5Na3Ta3Nb5O20 _chemical_formula_sum 'K20 Na12 Ta12 Nb20 O80' _cell_volume 2095.89140601 _cell_formula_units_Z 4 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 K K0 1 0.30647053 0.05765411 0.12295732 1.0 K K1 1 0.30850625 0.55700293 0.12066709 1.0 K K2 1 0.79779159 0.06093480 0.11192220 1.0 K K3 1 0.80998194 0.56040995 0.12304703 1.0 K K4 1 0.81327466 0.57084169 0.62575993 1.0 K K5 1 0.20034208 0.93874705 0.38697730 1.0 K K6 1 0.19016142 0.92712016 0.87670854 1.0 K K7 1 0.69367603 0.44526145 0.38446279 1.0 K K8 1 0.68346616 0.42710594 0.87783518 1.0 K K9 1 0.69394752 0.93885557 0.37843697 1.0 K K10 1 0.68748485 0.92058881 0.87390044 1.0 K K11 1 0.05587486 0.30655916 0.12246113 1.0 K K12 1 0.06247501 0.80034667 0.11686123 1.0 K K13 1 0.55663758 0.31209893 0.12080366 1.0 K K14 1 0.56171294 0.81040933 0.12315653 1.0 K K15 1 0.43666554 0.18648590 0.38002489 1.0 K K16 1 0.44494221 0.68938425 0.38390605 1.0 K K17 1 0.44393461 0.70367426 0.88963040 1.0 K K18 1 0.94299365 0.69093343 0.38134620 1.0 K K19 1 0.93335091 0.69066560 0.87292719 1.0 Na Na20 1 0.29700835 0.07762110 0.60514284 1.0 Na Na21 1 0.30236935 0.56647174 0.60227398 1.0 Na Na22 1 0.80105988 0.06381891 0.59888612 1.0 Na Na23 1 0.20035596 0.44185931 0.39126755 1.0 Na Na24 1 0.19610140 0.42761643 0.89429038 1.0 Na Na25 1 0.05011296 0.28133476 0.60599474 1.0 Na Na26 1 0.05765562 0.79373947 0.60969055 1.0 Na Na27 1 0.54993513 0.29286501 0.60554273 1.0 Na Na28 1 0.55770431 0.79213427 0.61001891 1.0 Na Na29 1 0.44086418 0.21116654 0.89526340 1.0 Na Na30 1 0.95156171 0.21114167 0.40134995 1.0 Na Na31 1 0.94598886 0.21115432 0.89870637 1.0 Ta Ta32 1 0.99848826 0.99711116 0.99969353 1.0 Ta Ta33 1 0.99820494 0.49618601 0.99865357 1.0 Ta Ta34 1 0.49799416 0.00008098 0.99951855 1.0 Ta Ta35 1 0.50509691 0.00187384 0.50486352 1.0 Ta Ta36 1 0.49719058 0.49920079 0.99847612 1.0 Ta Ta37 1 0.50539870 0.50118696 0.50409602 1.0 Ta Ta38 1 0.24723592 0.24658265 0.99886836 1.0 Ta Ta39 1 0.24801649 0.74524100 0.99752125 1.0 Ta Ta40 1 0.25588419 0.75284437 0.50449540 1.0 Ta Ta41 1 0.74582254 0.24635937 0.99781592 1.0 Ta Ta42 1 0.75480688 0.25026519 0.50166606 1.0 Ta Ta43 1 0.74988136 0.74721896 0.00049681 1.0 Nb Nb44 1 0.00364957 0.00060928 0.50191319 1.0 Nb Nb45 1 0.00694697 0.50276888 0.50553187 1.0 Nb Nb46 1 0.25232578 0.25462426 0.50343048 1.0 Nb Nb47 1 0.75849704 0.75301502 0.50441807 1.0 Nb Nb48 1 0.10754101 0.09812671 0.25425954 1.0 Nb Nb49 1 0.08506687 0.08910305 0.74721540 1.0 Nb Nb50 1 0.12441626 0.61067358 0.25316451 1.0 Nb Nb51 1 0.14319403 0.56407426 0.74964483 1.0 Nb Nb52 1 0.62264497 0.11346005 0.25159994 1.0 Nb Nb53 1 0.58204034 0.08553992 0.74646322 1.0 Nb Nb54 1 0.62156777 0.61471452 0.25245437 1.0 Nb Nb55 1 0.58993076 0.57961911 0.74660168 1.0 Nb Nb56 1 0.37231044 0.38556668 0.25317693 1.0 Nb Nb57 1 0.34640425 0.42391974 0.74760353 1.0 Nb Nb58 1 0.37145611 0.88128712 0.25117266 1.0 Nb Nb59 1 0.37161189 0.92777710 0.74574115 1.0 Nb Nb60 1 0.86917865 0.38430695 0.25386842 1.0 Nb Nb61 1 0.86757948 0.38633961 0.74753778 1.0 Nb Nb62 1 0.89570931 0.92105383 0.25339823 1.0 Nb Nb63 1 0.87506601 0.93814095 0.74845404 1.0 O O64 1 0.12726969 0.12967713 0.50313078 1.0 O O65 1 0.11728679 0.11832600 0.99263197 1.0 O O66 1 0.13368357 0.62899611 0.50410376 1.0 O O67 1 0.11822072 0.61256564 0.98603136 1.0 O O68 1 0.62775254 0.12570465 0.50249221 1.0 O O69 1 0.61485843 0.11897586 0.98827445 1.0 O O70 1 0.62750699 0.62763605 0.50647070 1.0 O O71 1 0.62473783 0.62314671 0.99923105 1.0 O O72 1 0.12209486 0.36884801 0.99670924 1.0 O O73 1 0.13315221 0.38012847 0.50861677 1.0 O O74 1 0.12006711 0.86946444 0.99493296 1.0 O O75 1 0.14175578 0.88212910 0.51797012 1.0 O O76 1 0.61805342 0.36927541 0.99473780 1.0 O O77 1 0.63323659 0.37932783 0.51420839 1.0 O O78 1 0.62366466 0.87412446 0.99905688 1.0 O O79 1 0.63706447 0.88919148 0.52087175 1.0 O O80 1 0.38014543 0.12441946 0.50373247 1.0 O O81 1 0.36833639 0.11934064 0.98781664 1.0 O O82 1 0.37727748 0.62210730 0.50079731 1.0 O O83 1 0.36818824 0.61804456 0.99255663 1.0 O O84 1 0.87403343 0.12465131 0.49435310 1.0 O O85 1 0.86801423 0.11736721 0.98754469 1.0 O O86 1 0.88128144 0.62866950 0.50413953 1.0 O O87 1 0.87104694 0.61789867 0.99220547 1.0 O O88 1 0.36869753 0.36966516 0.99353315 1.0 O O89 1 0.38150881 0.38053242 0.50928306 1.0 O O90 1 0.37212613 0.87460260 0.99816789 1.0 O O91 1 0.38842724 0.88132126 0.51637774 1.0 O O92 1 0.87119366 0.36942838 0.99718872 1.0 O O93 1 0.88544261 0.37756525 0.51538878 1.0 O O94 1 0.86946723 0.86843866 0.99024891 1.0 O O95 1 0.88366406 0.88080668 0.50812973 1.0 O O96 1 0.05176510 0.05682869 0.12153247 1.0 O O97 1 0.06140813 0.09338817 0.63715670 1.0 O O98 1 0.06231343 0.56148647 0.12177860 1.0 O O99 1 0.09119185 0.59002477 0.64368367 1.0 O O100 1 0.55708743 0.06816826 0.12037119 1.0 O O101 1 0.56399603 0.09980846 0.63958241 1.0 O O102 1 0.55635376 0.56326022 0.12147302 1.0 O O103 1 0.56270708 0.57978466 0.63412964 1.0 O O104 1 0.44328962 0.42899446 0.37886022 1.0 O O105 1 0.43051748 0.43396902 0.86480357 1.0 O O106 1 0.44274335 0.92906092 0.38140912 1.0 O O107 1 0.43417759 0.91955820 0.85651726 1.0 O O108 1 0.93791879 0.42609862 0.37796928 1.0 O O109 1 0.93293519 0.40337206 0.86593905 1.0 O O110 1 0.94914362 0.93289056 0.37214539 1.0 O O111 1 0.93701081 0.91993479 0.85636065 1.0 O O112 1 0.30790385 0.30382204 0.12131368 1.0 O O113 1 0.31940576 0.30652773 0.63702810 1.0 O O114 1 0.30698428 0.80099788 0.11990437 1.0 O O115 1 0.34022125 0.79720061 0.64118666 1.0 O O116 1 0.80471963 0.30117920 0.11980128 1.0 O O117 1 0.82608091 0.28090658 0.63189952 1.0 O O118 1 0.82225674 0.81649230 0.12461450 1.0 O O119 1 0.84902187 0.80925458 0.64596292 1.0 O O120 1 0.18896749 0.19245550 0.37444621 1.0 O O121 1 0.17484166 0.18814748 0.86299617 1.0 O O122 1 0.19257182 0.69797579 0.38116489 1.0 O O123 1 0.19419263 0.68709057 0.86184704 1.0 O O124 1 0.68926902 0.19951127 0.37762961 1.0 O O125 1 0.67324642 0.18492752 0.86136108 1.0 O O126 1 0.68693802 0.69574973 0.37829011 1.0 O O127 1 0.67197900 0.67644441 0.86624675 1.0 O O128 1 0.49175205 0.00266345 0.25091533 1.0 O O129 1 0.40894131 0.09972099 0.74788641 1.0 O O130 1 0.49437453 0.49743997 0.25010237 1.0 O O131 1 0.41574283 0.57749668 0.73781541 1.0 O O132 1 0.94453975 0.09931154 0.26425455 1.0 O O133 1 0.91119522 0.11010232 0.74799936 1.0 O O134 1 0.99306347 0.49916905 0.25176734 1.0 O O135 1 0.97442567 0.51419697 0.74817967 1.0 O O136 1 0.23431030 0.47772690 0.25605619 1.0 O O137 1 0.17203496 0.39088775 0.74941138 1.0 O O138 1 0.23818720 0.98566246 0.24939422 1.0 O O139 1 0.19713557 0.95465417 0.73580054 1.0 O O140 1 0.74437445 0.49559273 0.25084314 1.0 O O141 1 0.71854161 0.46334193 0.74035162 1.0 O O142 1 0.73691839 0.99184125 0.24655985 1.0 O O143 1 0.69848010 0.95762850 0.73628894 1.0