{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=94","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=92","results":[{"id":"mp-699937","created_at":"2022-09-04T14:40:58.732312Z","structure_string":"K16 Mn16 Be24 F96\n1.0\n10.265938 0.000000 0.000000\n0.000000 10.234967 0.000000\n0.000000 0.017264 20.427818\nK Mn Be F\n16 16 24 96\ndirect\n0.563880 0.197978 0.969112 K\n0.302593 0.039515 0.656375 K\n0.785276 0.934954 0.851377 K\n0.935210 0.314758 0.716971 K\n0.285276 0.065046 0.148623 K\n0.699897 0.539830 0.099443 K\n0.687131 0.545327 0.603725 K\n0.063880 0.802022 0.030888 K\n0.553851 0.171405 0.476712 K\n0.435210 0.685242 0.283029 K\n0.927767 0.322544 0.220588 K\n0.427767 0.677456 0.779412 K\n0.199897 0.460170 0.900557 K\n0.053851 0.828595 0.523288 K\n0.802593 0.960485 0.343625 K\n0.187131 0.454673 0.396275 K\n0.156019 0.099506 0.333266 Mn\n0.848961 0.585990 0.923766 Mn\n0.083942 0.683932 0.700675 Mn\n0.425464 0.844817 0.950168 Mn\n0.896220 0.191656 0.540963 Mn\n0.575514 0.325468 0.788813 Mn\n0.633181 0.899886 0.168029 Mn\n0.583942 0.316068 0.299325 Mn\n0.925464 0.155183 0.049832 Mn\n0.348961 0.414010 0.076234 Mn\n0.338294 0.388576 0.584726 Mn\n0.656019 0.900494 0.666734 Mn\n0.838294 0.611424 0.415274 Mn\n0.396220 0.808344 0.459037 Mn\n0.075514 0.674532 0.211187 Mn\n0.133181 0.100114 0.831971 Mn\n0.247091 0.381039 0.739035 Be\n0.622681 0.215847 0.133397 Be\n0.455307 0.012423 0.805865 Be\n0.731909 0.869743 0.014717 Be\n0.955307 0.987577 0.194135 Be\n0.959062 0.992825 0.686433 Be\n0.862645 0.270120 0.888682 Be\n0.122092 0.785864 0.361494 Be\n0.034409 0.481998 0.065459 Be\n0.534409 0.518002 0.934541 Be\n0.622092 0.214136 0.638506 Be\n0.872589 0.289244 0.383033 Be\n0.541666 0.503564 0.447724 Be\n0.231909 0.130257 0.985283 Be\n0.041666 0.496436 0.552276 Be\n0.362645 0.729880 0.111318 Be\n0.763461 0.616307 0.757944 Be\n0.122681 0.784153 0.866603 Be\n0.728177 0.883148 0.509594 Be\n0.263461 0.383693 0.242056 Be\n0.228177 0.116852 0.490406 Be\n0.372589 0.710756 0.616967 Be\n0.747091 0.618961 0.260965 Be\n0.459062 0.007175 0.313567 Be\n0.305108 0.015864 0.794057 F\n0.181169 0.518697 0.747065 F\n0.501303 0.147990 0.831808 F\n0.675989 0.491589 0.960814 F\n0.723015 0.272488 0.589236 F\n0.591226 0.070649 0.617408 F\n0.560673 0.401543 0.392047 F\n0.687538 0.800054 0.078712 F\n0.933184 0.406189 0.889907 F\n0.581497 0.887599 0.488397 F\n0.800014 0.773068 0.965628 F\n0.897401 0.597037 0.722594 F\n0.462258 0.622468 0.421686 F\n0.119995 0.768223 0.791692 F\n0.495942 0.902347 0.854944 F\n0.619995 0.231777 0.208308 F\n0.673270 0.224106 0.710540 F\n0.285214 0.974182 0.494143 F\n0.432427 0.448840 0.980566 F\n0.805108 0.984136 0.205943 F\n0.513751 0.666813 0.930849 F\n0.785214 0.025818 0.505857 F\n0.495189 0.796848 0.626809 F\n0.317723 0.729050 0.546786 F\n0.495082 0.295039 0.633154 F\n0.113604 0.064898 0.020945 F\n0.893814 0.604944 0.245034 F\n0.393814 0.395056 0.754966 F\n0.072019 0.924880 0.883428 F\n0.091226 0.929351 0.382592 F\n0.678909 0.722346 0.722223 F\n0.681169 0.481303 0.252935 F\n0.687019 0.485081 0.748090 F\n0.510828 0.459424 0.865296 F\n0.060673 0.598457 0.607953 F\n0.826120 0.958602 0.720646 F\n0.724158 0.674236 0.331393 F\n0.520279 0.133137 0.343837 F\n0.177413 0.289942 0.790138 F\n0.763632 0.241444 0.106037 F\n0.187019 0.514919 0.251910 F\n0.272692 0.757112 0.670522 F\n0.010828 0.540576 0.134704 F\n0.279269 0.343655 0.168728 F\n0.326120 0.041398 0.279354 F\n0.250665 0.175536 0.420336 F\n0.933650 0.098158 0.632239 F\n0.178909 0.277654 0.277777 F\n0.311125 0.196506 0.541543 F\n0.056887 0.056166 0.735581 F\n0.962258 0.377532 0.578314 F\n0.397401 0.402963 0.277406 F\n0.001303 0.852010 0.168192 F\n0.177583 0.448350 0.526800 F\n0.339124 0.028176 0.966207 F\n0.779269 0.656345 0.831272 F\n0.034415 0.678911 0.901868 F\n0.750665 0.824464 0.579664 F\n0.223015 0.727512 0.410764 F\n0.020279 0.866863 0.656163 F\n0.938806 0.169598 0.845408 F\n0.613604 0.935102 0.979055 F\n0.811125 0.803494 0.458457 F\n0.932427 0.551160 0.019434 F\n0.839124 0.971824 0.033793 F\n0.013751 0.333187 0.069151 F\n0.175989 0.508411 0.039186 F\n0.226585 0.717111 0.143842 F\n0.019934 0.026622 0.260624 F\n0.263632 0.758556 0.893963 F\n0.995942 0.097653 0.145056 F\n0.677583 0.551650 0.473200 F\n0.433184 0.593811 0.110093 F\n0.995082 0.704961 0.366846 F\n0.995189 0.203152 0.373191 F\n0.534415 0.321089 0.098132 F\n0.224158 0.325764 0.668607 F\n0.556887 0.943834 0.264419 F\n0.572019 0.075120 0.116572 F\n0.841195 0.212020 0.958914 F\n0.438806 0.830402 0.154592 F\n0.519934 0.973378 0.739376 F\n0.726585 0.282889 0.856158 F\n0.772692 0.242888 0.329478 F\n0.470308 0.431367 0.505160 F\n0.173270 0.775894 0.289460 F\n0.677413 0.710058 0.209862 F\n0.909612 0.435463 0.370858 F\n0.300014 0.226932 0.034372 F\n0.970308 0.568633 0.494840 F\n0.081497 0.112401 0.511603 F\n0.187538 0.199946 0.921288 F\n0.433650 0.901842 0.367761 F\n0.409612 0.564537 0.629142 F\n0.341195 0.787980 0.041086 F\n0.817723 0.270950 0.453214 F\n","nsites":152,"nelements":4,"elements":["K","Mn","Be","F"],"chemical_system":"Be-F-K-Mn","density":2.7423573268605357,"density_atomic":0.070816836831246,"volume":2146.3822277491804,"volume_molar":8.503826250176278,"formula_full":"K16 Mn16 Be24 F96","formula_reduced":"K2Mn2Be3F12","formula_anonymous":"A2B2C3D12","energy":-939.08087855,"energy_per_atom":-6.178163674671052,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-868.0408785500001,"band_gap":4.7164,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":80.0033448,"is_theoretical":false,"updated_at":"2021-11-28T01:35:09.784000Z","spacegroup":4},{"id":"mp-704608","created_at":"2022-09-04T14:43:09.480766Z","structure_string":"Mo16 C24 S16 Cl80 O16\n1.0\n19.806537 0.000000 0.000000\n0.000000 11.926059 0.000000\n0.000000 1.412595 16.688336\nMo C S Cl O\n16 24 16 80 16\ndirect\n0.078976 0.679785 0.229160 Mo\n0.196486 0.765957 0.381794 Mo\n0.176476 0.758404 0.711960 Mo\n0.814394 0.232962 0.070683 Mo\n0.314394 0.267038 0.429317 Mo\n0.303514 0.265957 0.881794 Mo\n0.823524 0.241596 0.288040 Mo\n0.421024 0.179785 0.729160 Mo\n0.921024 0.320215 0.770840 Mo\n0.676476 0.741596 0.788040 Mo\n0.685606 0.732962 0.570683 Mo\n0.323524 0.258404 0.211960 Mo\n0.696486 0.734043 0.118206 Mo\n0.578976 0.820215 0.270840 Mo\n0.803514 0.234043 0.618206 Mo\n0.185606 0.767038 0.929317 Mo\n0.076224 0.242586 0.133590 C\n0.607588 0.346291 0.930642 C\n0.089391 0.253495 0.524167 C\n0.425293 0.628602 0.661892 C\n0.887576 0.647971 0.444348 C\n0.592023 0.236907 0.447840 C\n0.112424 0.352029 0.555652 C\n0.410609 0.753495 0.024167 C\n0.923776 0.757414 0.866410 C\n0.107588 0.153709 0.569358 C\n0.907977 0.736907 0.947840 C\n0.925293 0.871398 0.838108 C\n0.387576 0.852029 0.055652 C\n0.574707 0.371398 0.338108 C\n0.407977 0.763093 0.552160 C\n0.092023 0.263093 0.052160 C\n0.392412 0.653709 0.069358 C\n0.892412 0.846291 0.430642 C\n0.589391 0.246505 0.975833 C\n0.423776 0.742586 0.633590 C\n0.576224 0.257414 0.366410 C\n0.612424 0.147971 0.944348 C\n0.910609 0.746505 0.475833 C\n0.074707 0.128602 0.161892 C\n0.345247 0.665292 0.153383 S\n0.608042 0.350872 0.499664 S\n0.845247 0.834708 0.346617 S\n0.658550 0.162798 0.858413 S\n0.108042 0.149128 0.000336 S\n0.091585 0.032370 0.095127 S\n0.391958 0.649128 0.500336 S\n0.591585 0.467630 0.404873 S\n0.841450 0.662798 0.358413 S\n0.408415 0.532370 0.595127 S\n0.908415 0.967630 0.904873 S\n0.158550 0.337202 0.641587 S\n0.891958 0.850872 0.999664 S\n0.154753 0.165292 0.653383 S\n0.341450 0.837202 0.141587 S\n0.654753 0.334708 0.846617 S\n0.584324 0.475727 0.952207 Cl\n0.404080 0.891395 0.502926 Cl\n0.500648 0.053824 0.792726 Cl\n0.073150 0.783747 0.380725 Cl\n0.330195 0.086371 0.816276 Cl\n0.924479 0.193466 0.024704 Cl\n0.915676 0.975727 0.452207 Cl\n0.058772 0.346280 0.193206 Cl\n0.775589 0.064138 0.023204 Cl\n0.224411 0.935862 0.976796 Cl\n0.558235 0.418278 0.242923 Cl\n0.808913 0.741517 0.169043 Cl\n0.926850 0.216253 0.619275 Cl\n0.426850 0.283747 0.880725 Cl\n0.441765 0.581722 0.757077 Cl\n0.000648 0.446176 0.707274 Cl\n0.492550 0.690740 0.309515 Cl\n0.779166 0.729675 0.664770 Cl\n0.075521 0.806534 0.975296 Cl\n0.134450 0.637886 0.834410 Cl\n0.958280 0.744074 0.559834 Cl\n0.595920 0.108605 0.497074 Cl\n0.169805 0.586371 0.316276 Cl\n0.360668 0.410917 0.290550 Cl\n0.084324 0.024273 0.547793 Cl\n0.992550 0.809260 0.190485 Cl\n0.865550 0.362114 0.165590 Cl\n0.254573 0.385379 0.135102 Cl\n0.220834 0.270325 0.335230 Cl\n0.365550 0.137886 0.334410 Cl\n0.245427 0.885379 0.635102 Cl\n0.424479 0.306534 0.475296 Cl\n0.904080 0.608605 0.997074 Cl\n0.724411 0.564138 0.523204 Cl\n0.860668 0.089083 0.209450 Cl\n0.999352 0.553824 0.292726 Cl\n0.292232 0.457265 0.895775 Cl\n0.095920 0.391395 0.002926 Cl\n0.558772 0.153720 0.306794 Cl\n0.096093 0.482889 0.515949 Cl\n0.639332 0.589083 0.709450 Cl\n0.754573 0.114621 0.364898 Cl\n0.835977 0.170275 0.783349 Cl\n0.139332 0.910917 0.790550 Cl\n0.596093 0.017111 0.984051 Cl\n0.441228 0.846280 0.693206 Cl\n0.720834 0.229675 0.164770 Cl\n0.707768 0.542735 0.104225 Cl\n0.458280 0.755926 0.940166 Cl\n0.058235 0.081722 0.257077 Cl\n0.507450 0.309260 0.690485 Cl\n0.691087 0.241517 0.669043 Cl\n0.634450 0.862114 0.665590 Cl\n0.903907 0.517111 0.484051 Cl\n0.573150 0.716253 0.119275 Cl\n0.308913 0.758483 0.330957 Cl\n0.941765 0.918278 0.742923 Cl\n0.541720 0.244074 0.059834 Cl\n0.941228 0.653720 0.806794 Cl\n0.499352 0.946176 0.207274 Cl\n0.241711 0.604347 0.677162 Cl\n0.745427 0.614621 0.864898 Cl\n0.758289 0.395653 0.322838 Cl\n0.669805 0.913629 0.183724 Cl\n0.207768 0.957265 0.395775 Cl\n0.275589 0.435862 0.476796 Cl\n0.403907 0.982889 0.015949 Cl\n0.741711 0.895653 0.822838 Cl\n0.415676 0.524273 0.047793 Cl\n0.335977 0.329725 0.716651 Cl\n0.041720 0.255926 0.440166 Cl\n0.792232 0.042735 0.604225 Cl\n0.258289 0.104347 0.177162 Cl\n0.575521 0.693466 0.524704 Cl\n0.664023 0.670275 0.283349 Cl\n0.191087 0.258483 0.830957 Cl\n0.164023 0.829725 0.216651 Cl\n0.007450 0.190740 0.809515 Cl\n0.279166 0.770325 0.835230 Cl\n0.830195 0.413629 0.683724 Cl\n0.394028 0.247984 0.154617 O\n0.292412 0.205444 0.976111 O\n0.605972 0.752016 0.845383 O\n0.213837 0.668773 0.000522 O\n0.904699 0.382237 0.855946 O\n0.095301 0.617763 0.144054 O\n0.105972 0.747984 0.654617 O\n0.792412 0.294556 0.523889 O\n0.786163 0.331227 0.999478 O\n0.894028 0.252016 0.345383 O\n0.286163 0.168773 0.500522 O\n0.713837 0.831227 0.499478 O\n0.707588 0.794556 0.023889 O\n0.207588 0.705444 0.476111 O\n0.595301 0.882237 0.355946 O\n0.404699 0.117763 0.644054 O\n","nsites":152,"nelements":5,"elements":["Mo","C","S","Cl","O"],"chemical_system":"C-Cl-Mo-O-S","density":2.2867346761842153,"density_atomic":0.03855893673081964,"volume":3942.0174124902264,"volume_molar":15.618015616044161,"formula_full":"Mo16 C24 S16 Cl80 O16","formula_reduced":"Mo2C3S2(Cl5O)2","formula_anonymous":"A2B2C2D3E10","energy":-832.77615625,"energy_per_atom":-5.4787905016447365,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-713.3841562500002,"band_gap":2.0977,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":16.0116473,"is_theoretical":false,"updated_at":"2021-11-28T01:36:00.305000Z","spacegroup":14},{"id":"mp-1247696","created_at":"2022-09-04T14:47:10.943621Z","structure_string":"Sr4 Ca28 Ti12 Mn20 O88\n1.0\n11.004856 -0.025899 -0.104062\n-0.035701 15.737155 0.007808\n-0.102316 0.005687 10.952611\nSr Ca Ti Mn O\n4 28 12 20 88\ndirect\n0.989060 0.118800 0.510585 Sr\n0.502164 0.390197 0.998906 Sr\n0.243817 0.392530 0.252072 Sr\n0.226222 0.118241 0.231614 Sr\n0.987005 0.114400 0.011280 Ca\n0.008755 0.626058 0.504091 Ca\n0.003467 0.625998 0.989118 Ca\n0.546693 0.124974 0.482735 Ca\n0.548671 0.124020 0.982322 Ca\n0.524712 0.624818 0.501704 Ca\n0.530157 0.624817 0.999817 Ca\n0.493353 0.394688 0.507729 Ca\n0.502434 0.855091 0.997489 Ca\n0.497925 0.854448 0.497437 Ca\n0.966703 0.391320 0.997290 Ca\n0.961378 0.389536 0.503364 Ca\n0.966300 0.864661 0.007005 Ca\n0.965449 0.865678 0.509767 Ca\n0.235616 0.399268 0.741768 Ca\n0.232010 0.857375 0.259259 Ca\n0.228581 0.861463 0.753946 Ca\n0.736063 0.395273 0.254095 Ca\n0.731017 0.392455 0.752437 Ca\n0.728696 0.859081 0.246768 Ca\n0.729372 0.859356 0.746619 Ca\n0.226853 0.113061 0.739309 Ca\n0.276478 0.628884 0.269977 Ca\n0.269720 0.628599 0.751293 Ca\n0.771393 0.117773 0.247579 Ca\n0.777770 0.122942 0.755073 Ca\n0.756779 0.623869 0.251409 Ca\n0.768123 0.624314 0.755468 Ca\n0.986108 0.985533 0.261211 Ti\n0.986605 0.989666 0.760029 Ti\n0.999781 0.503741 0.251161 Ti\n0.232537 0.983863 0.011253 Ti\n0.231867 0.989834 0.515961 Ti\n0.248691 0.516961 0.007907 Ti\n0.266197 0.238129 0.934612 Ti\n0.268602 0.234928 0.455256 Ti\n0.251904 0.746786 0.005328 Ti\n0.977214 0.257331 0.267916 Ti\n0.995448 0.257989 0.771097 Ti\n0.999862 0.743012 0.250619 Ti\n0.001425 0.503149 0.748414 Mn\n0.505991 0.988977 0.229985 Mn\n0.506792 0.988575 0.733813 Mn\n0.499072 0.505688 0.253536 Mn\n0.495724 0.506507 0.750300 Mn\n0.247029 0.511888 0.505157 Mn\n0.744169 0.995490 0.991456 Mn\n0.739129 0.995210 0.492140 Mn\n0.750841 0.503445 0.000957 Mn\n0.747049 0.504094 0.504288 Mn\n0.250078 0.750344 0.506948 Mn\n0.751484 0.252137 0.002739 Mn\n0.742307 0.253327 0.505091 Mn\n0.751921 0.747064 0.998582 Mn\n0.749989 0.746435 0.500642 Mn\n0.001260 0.748130 0.749899 Mn\n0.518261 0.257829 0.255849 Mn\n0.514860 0.255998 0.748957 Mn\n0.499861 0.746392 0.254107 Mn\n0.499673 0.745741 0.753083 Mn\n0.110163 0.777891 0.110492 O\n0.108390 0.777630 0.607105 O\n0.566948 0.248851 0.094919 O\n0.579101 0.258598 0.580751 O\n0.611059 0.761743 0.113016 O\n0.612764 0.761817 0.609956 O\n0.396335 0.195553 0.361368 O\n0.397159 0.185291 0.857272 O\n0.396173 0.728891 0.402437 O\n0.391211 0.727419 0.907598 O\n0.899488 0.243575 0.407899 O\n0.929702 0.240538 0.917276 O\n0.897365 0.730280 0.389515 O\n0.895618 0.733598 0.892767 O\n0.155743 0.249281 0.331588 O\n0.177896 0.253778 0.789987 O\n0.148658 0.737247 0.354711 O\n0.148117 0.734038 0.859493 O\n0.653765 0.219949 0.341987 O\n0.662242 0.227496 0.851149 O\n0.644231 0.726504 0.357133 O\n0.645163 0.725994 0.861118 O\n0.355956 0.766914 0.149996 O\n0.352669 0.769894 0.647955 O\n0.854877 0.276859 0.153140 O\n0.875795 0.271000 0.652869 O\n0.862328 0.770771 0.142487 O\n0.861259 0.771228 0.642437 O\n0.360529 0.493350 0.139669 O\n0.350559 0.494760 0.644046 O\n0.359512 0.017942 0.120092 O\n0.351733 0.012857 0.641058 O\n0.864526 0.482346 0.138512 O\n0.859987 0.479110 0.642455 O\n0.859203 0.976929 0.145517 O\n0.857819 0.979784 0.647410 O\n0.144842 0.016413 0.369635 O\n0.157914 0.013584 0.866077 O\n0.143668 0.519126 0.355998 O\n0.145756 0.518803 0.857640 O\n0.632523 0.029770 0.346209 O\n0.638905 0.028925 0.844760 O\n0.641000 0.521380 0.362026 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O\n0.102827 0.057021 0.366120 O\n0.080609 0.056361 0.863638 O\n0.032493 0.941745 0.743978 O\n0.025231 0.962090 0.253343 O\n0.007108 0.468213 0.625567 O\n0.022617 0.414934 0.112980 O\n0.030071 0.273026 0.402651 O\n0.989135 0.273291 0.896285 O\n0.010118 0.137590 0.670973 O\n0.004735 0.146251 0.175695 O\n","nsites":152,"nelements":5,"elements":["Yb","Rb","Ti","P","O"],"chemical_system":"O-P-Rb-Ti-Yb","density":4.005240384937589,"density_atomic":0.0677174405185347,"volume":2244.6211616399855,"volume_molar":8.893042492283358,"formula_full":"Rb16 Yb8 Ti8 P24 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0.954585 0.393040 Al\n0.281620 0.545415 0.606960 Al\n0.781620 0.545415 0.893040 Al\n0.893040 0.781620 0.545415 Al\n0.545415 0.893040 0.781620 Al\n0.954585 0.106960 0.281620 Al\n0.393040 0.718380 0.454585 Al\n0.454585 0.393040 0.718380 Al\n0.606960 0.218380 0.045415 Al\n0.106960 0.281620 0.954585 Al\n0.045415 0.606960 0.218380 Al\n0.281620 0.954585 0.106960 Al\n0.218380 0.045415 0.606960 Al\n0.718380 0.454585 0.393040 Al\n0.074541 0.074541 0.074541 Al\n0.425459 0.925459 0.574541 Al\n0.574541 0.425459 0.925459 Al\n0.925459 0.574541 0.425459 Al\n0.925459 0.925459 0.925459 Al\n0.574541 0.074541 0.425459 Al\n0.425459 0.574541 0.074541 Al\n0.074541 0.425459 0.574541 Al\n0.265371 0.956824 0.376549 Pb\n0.376549 0.265371 0.956824 Pb\n0.956824 0.376549 0.265371 Pb\n0.543176 0.623451 0.765371 Pb\n0.876549 0.234629 0.043176 Pb\n0.043176 0.876549 0.234629 Pb\n0.123451 0.734629 0.456824 Pb\n0.623451 0.765371 0.543176 Pb\n0.456824 0.123451 0.734629 Pb\n0.765371 0.543176 0.623451 Pb\n0.734629 0.456824 0.123451 Pb\n0.234629 0.043176 0.876549 Pb\n0.734629 0.043176 0.623451 Pb\n0.623451 0.734629 0.043176 Pb\n0.043176 0.623451 0.734629 Pb\n0.456824 0.376549 0.234629 Pb\n0.123451 0.765371 0.956824 Pb\n0.956824 0.123451 0.765371 Pb\n0.876549 0.265371 0.543176 Pb\n0.376549 0.234629 0.456824 Pb\n0.543176 0.876549 0.265371 Pb\n0.234629 0.456824 0.376549 Pb\n0.265371 0.543176 0.876549 Pb\n0.765371 0.956824 0.123451 Pb\n0.500000 0.500000 0.500000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.500000 0.000000 0.000000 Pb\n0.224482 0.224482 0.224482 Pb\n0.275518 0.775518 0.724482 Pb\n0.724482 0.275518 0.775518 Pb\n0.775518 0.724482 0.275518 Pb\n0.775518 0.775518 0.775518 Pb\n0.724482 0.224482 0.275518 Pb\n0.275518 0.724482 0.224482 Pb\n0.224482 0.275518 0.724482 Pb\n0.047171 0.054074 0.203064 O\n0.203064 0.047171 0.054074 O\n0.054074 0.203064 0.047171 O\n0.445926 0.796936 0.547171 O\n0.703064 0.452829 0.945926 O\n0.945926 0.703064 0.452829 O\n0.296936 0.952829 0.554074 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