# generated using pymatgen data_La7Ti27Al5(CuO4)24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46064568 _cell_length_b 6.47440089 _cell_length_c 51.69676743 _cell_angle_alpha 109.49788339 _cell_angle_beta 109.51766429 _cell_angle_gamma 109.46822082 _symmetry_Int_Tables_number 1 _chemical_formula_structural La7Ti27Al5(CuO4)24 _chemical_formula_sum 'La7 Ti27 Al5 Cu24 O96' _cell_volume 1663.18523724 _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 La La0 1 0.00052456 0.00119919 0.87586323 1.0 La La1 1 0.00673450 0.00575860 0.75086628 1.0 La La2 1 0.00343171 0.00400623 0.62578092 1.0 La La3 1 0.00139418 0.00160734 0.50033507 1.0 La La4 1 0.99974176 0.99975536 0.37494056 1.0 La La5 1 0.99767004 0.99795291 0.24948589 1.0 La La6 1 0.99123838 0.99051359 0.12282121 1.0 Ti Ti7 1 0.00314839 0.00625089 0.94054321 1.0 Ti Ti8 1 0.99835761 0.50269315 0.87494352 1.0 Ti Ti9 1 0.52255395 0.51633871 0.93985608 1.0 Ti Ti10 1 0.00131746 0.49982377 0.75123286 1.0 Ti Ti11 1 0.00062249 0.00050348 0.81281747 1.0 Ti Ti12 1 0.00176450 0.50258247 0.62570366 1.0 Ti Ti13 1 0.00198099 0.00242825 0.68806129 1.0 Ti Ti14 1 0.50565245 0.50371103 0.68848887 1.0 Ti Ti15 1 0.00684170 0.99827792 0.56354765 1.0 Ti Ti16 1 0.00001149 0.50090120 0.50026355 1.0 Ti Ti17 1 0.50230677 0.50575999 0.56399994 1.0 Ti Ti18 1 -0.00011548 0.49969933 0.37493470 1.0 Ti Ti19 1 0.00058577 0.99961406 0.43759402 1.0 Ti Ti20 1 0.50338940 0.00511031 0.50070789 1.0 Ti Ti21 1 0.99872270 0.99976206 0.31222413 1.0 Ti Ti22 1 0.50076260 0.50040175 0.43761386 1.0 Ti Ti23 1 0.00001918 0.49825378 0.24955208 1.0 Ti Ti24 1 0.49836805 0.49880197 0.31220357 1.0 Ti Ti25 1 0.49974327 0.99954614 0.37493409 1.0 Ti Ti26 1 0.99842076 0.49555912 0.12343626 1.0 Ti Ti27 1 0.99186929 0.99969043 0.18597442 1.0 Ti Ti28 1 0.49616300 0.99366338 0.24915155 1.0 Ti Ti29 1 0.49474486 0.49220825 0.18555687 1.0 Ti Ti30 1 0.99620407 0.99295363 0.05926504 1.0 Ti Ti31 1 0.47354441 0.48191662 0.05961539 1.0 Ti Ti32 1 0.49956021 0.99892243 0.99996653 1.0 Ti Ti33 1 0.00006174 0.50023402 0.99986314 1.0 Al Al34 1 0.50202361 0.50027522 0.81262043 1.0 Al Al35 1 0.50000496 0.99684156 0.87491804 1.0 Al Al36 1 0.50303227 0.00782959 0.75067342 1.0 Al Al37 1 0.50312012 0.00423044 0.62561948 1.0 Al Al38 1 0.49471845 0.99328001 0.12403184 1.0 Cu Cu39 1 0.49841918 0.00167292 0.93721428 1.0 Cu Cu40 1 0.50044064 0.00013333 0.81251829 1.0 Cu Cu41 1 0.50109617 0.50016533 0.87473739 1.0 Cu Cu42 1 0.99809094 0.49566631 0.93700249 1.0 Cu Cu43 1 0.50039768 0.00022590 0.68751388 1.0 Cu Cu44 1 0.49982440 0.50014431 0.75051565 1.0 Cu Cu45 1 0.99975531 0.50039922 0.81261268 1.0 Cu Cu46 1 0.49993082 0.49935948 0.62519826 1.0 Cu Cu47 1 -0.00024849 0.49993247 0.68758285 1.0 Cu Cu48 1 0.50171409 0.00115325 0.56309246 1.0 Cu Cu49 1 0.49993739 0.99990552 0.43749125 1.0 Cu Cu50 1 0.49983306 0.50032271 0.50009789 1.0 Cu Cu51 1 0.00287263 0.50245799 0.56288026 1.0 Cu Cu52 1 0.49977366 0.99987792 0.31244683 1.0 Cu Cu53 1 0.49984743 0.49988489 0.37496795 1.0 Cu Cu54 1 0.00030923 0.50001637 0.43752679 1.0 Cu Cu55 1 0.49792356 0.99875392 0.18687198 1.0 Cu Cu56 1 0.49990735 0.49954044 0.24985012 1.0 Cu Cu57 1 0.99958283 0.49970122 0.31242631 1.0 Cu Cu58 1 0.49947228 0.50034182 0.12466529 1.0 Cu Cu59 1 0.50151105 0.99843424 0.06284521 1.0 Cu Cu60 1 0.99733615 0.49729260 0.18707951 1.0 Cu Cu61 1 0.49996004 0.49993775 0.99998375 1.0 Cu Cu62 1 0.00212586 0.50417810 0.06287313 1.0 O O63 1 0.17841383 0.86804603 0.96090564 1.0 O O64 1 0.13218720 0.31210687 0.97754615 1.0 O O65 1 0.17430022 0.48014647 0.91268707 1.0 O O66 1 0.17919334 0.87613814 0.83731351 1.0 O O67 1 0.30520557 0.82391727 0.89060298 1.0 O O68 1 0.50802532 0.68722342 0.97736219 1.0 O O69 1 0.30477426 0.17519348 0.93511391 1.0 O O70 1 0.12710927 0.30333836 0.85283441 1.0 O O71 1 0.68655865 0.82144309 0.93867308 1.0 O O72 1 0.18242496 0.48013475 0.78796334 1.0 O O73 1 0.48123750 0.30030621 0.89666438 1.0 O O74 1 0.30806872 0.82612286 0.76603792 1.0 O O75 1 0.18184162 0.87870468 0.71264478 1.0 O O76 1 0.68821858 0.18036237 0.98344201 1.0 O O77 1 0.51800949 0.69628202 0.85249431 1.0 O O78 1 0.82145094 0.50921835 0.96128087 1.0 O O79 1 0.12320303 0.30102244 0.72750818 1.0 O O80 1 0.30863731 0.17958510 0.81027833 1.0 O O81 1 0.87129966 0.69455692 0.89689082 1.0 O O82 1 0.69062981 0.82027909 0.81461584 1.0 O O83 1 0.17671853 0.47901448 0.66245202 1.0 O O84 1 0.18319175 0.87967003 0.58770403 1.0 O O85 1 0.48012229 0.30136366 0.77258808 1.0 O O86 1 0.30178434 0.82130387 0.63985655 1.0 O O87 1 0.69048929 0.17153410 0.85855385 1.0 O O88 1 0.81797520 0.12373257 0.91236147 1.0 O O89 1 0.51840875 0.70072631 0.72772105 1.0 O O90 1 0.81809459 0.51982438 0.83686277 1.0 O O91 1 0.30098884 0.17816639 0.68487673 1.0 O O92 1 0.12262877 0.29973836 0.60244377 1.0 O O93 1 0.17656713 0.47830545 0.53736480 1.0 O O94 1 0.69781902 0.82119434 0.68986493 1.0 O O95 1 0.87709578 0.69806775 0.77215609 1.0 O O96 1 0.47908580 0.29730221 0.64702903 1.0 O O97 1 0.30070519 0.82147110 0.51533206 1.0 O O98 1 0.17760677 0.87869266 0.46230692 1.0 O O99 1 0.82013977 0.12228203 0.78748237 1.0 O O100 1 0.69797348 0.17790278 0.73487867 1.0 O O101 1 0.51823835 0.70197480 0.60270443 1.0 O O102 1 0.12111806 0.30012642 0.47756473 1.0 O O103 1 0.30055713 0.17869722 0.55974472 1.0 O O104 1 0.82305975 0.52085842 0.71234897 1.0 O O105 1 0.87613935 0.69792290 0.64702802 1.0 O O106 1 0.17918316 0.47847116 0.41246270 1.0 O O107 1 0.69824804 0.82071782 0.56476353 1.0 O O108 1 0.47740622 0.29870020 0.52205859 1.0 O O109 1 0.29980729 0.82120249 0.39011200 1.0 O O110 1 0.17885307 0.87830749 0.33753084 1.0 O O111 1 0.69774861 0.17722585 0.60994973 1.0 O O112 1 0.52046074 0.69926118 0.47756455 1.0 O O113 1 0.81794120 0.12036638 0.66218247 1.0 O O114 1 0.12051637 0.30028889 0.35271874 1.0 O O115 1 0.29972536 0.17946615 0.43486455 1.0 O O116 1 0.81998485 0.52009680 0.58697038 1.0 O O117 1 0.17935010 0.47929947 0.28777526 1.0 O O118 1 0.69982984 0.82035146 0.44004241 1.0 O O119 1 0.87781391 0.69869008 0.52205362 1.0 O O120 1 0.17720202 0.87473425 0.21237531 1.0 O O121 1 0.30019739 0.82192035 0.26531253 1.0 O O122 1 0.47867068 0.29905138 0.39732916 1.0 O O123 1 0.70000326 0.17848222 0.48475224 1.0 O O124 1 0.52144110 0.70134861 0.35273287 1.0 O O125 1 0.82224314 0.12334008 0.53755626 1.0 O O126 1 0.30031178 0.17974046 0.30998567 1.0 O O127 1 0.12323572 0.30223636 0.22811583 1.0 O O128 1 0.82011900 0.52089375 0.46235870 1.0 O O129 1 0.87957684 0.70008630 0.39733881 1.0 O O130 1 0.17942076 0.48021665 0.16339234 1.0 O O131 1 0.70047620 0.82077689 0.31518685 1.0 O O132 1 0.18206287 0.87768718 0.08769196 1.0 O O133 1 0.30348635 0.82433533 0.14035098 1.0 O O134 1 0.47973206 0.30167293 0.27244662 1.0 O O135 1 0.82134510 0.12051674 0.41247350 1.0 O O136 1 0.70035254 0.17907264 0.35994163 1.0 O O137 1 0.52313759 0.70158645 0.22811887 1.0 O O138 1 0.12482660 0.30350341 0.10315792 1.0 O O139 1 0.30282075 0.17904490 0.18534638 1.0 O O140 1 0.82199826 0.52139997 0.33754212 1.0 O O141 1 0.69934354 0.82208931 0.19032397 1.0 O O142 1 0.17874702 0.49112081 0.03865275 1.0 O O143 1 0.87803383 0.69982996 0.27245341 1.0 O O144 1 0.31012446 0.81818459 0.01617028 1.0 O O145 1 0.48245312 0.29875953 0.14733889 1.0 O O146 1 0.82321835 0.12293967 0.28782290 1.0 O O147 1 0.69912786 0.17850708 0.23464729 1.0 O O148 1 0.52083294 0.70255025 0.10314507 1.0 O O149 1 0.82487928 0.52166576 0.21254945 1.0 O O150 1 0.31210882 0.18060649 0.06141657 1.0 O O151 1 0.69741865 0.82333427 0.06501822 1.0 O O152 1 0.87683927 0.70078174 0.14768928 1.0 O O153 1 0.49240734 0.31277494 0.02270328 1.0 O O154 1 0.69659097 0.17812558 0.11000510 1.0 O O155 1 0.81826295 0.12332672 0.16254838 1.0 O O156 1 0.82376990 0.51953826 0.08733060 1.0 O O157 1 0.86828152 0.68784200 0.02248106 1.0 O O158 1 0.82068473 0.13157441 0.03905933 1.0