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{
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"structure_string": "Te8 As8 Se32 S4 O8 F48\n1.0\n8.829294 0.000000 0.000000\n0.000000 7.484480 0.000000\n0.000000 1.017741 36.829252\nTe As Se S O F\n8 8 32 4 8 48\ndirect\n0.461589 0.152534 0.685598 Te\n0.961589 0.847466 0.814402 Te\n0.038411 0.152534 0.185598 Te\n0.329377 0.303600 0.072561 Te\n0.170623 0.303600 0.572561 Te\n0.829377 0.696400 0.427439 Te\n0.670623 0.696400 0.927439 Te\n0.538411 0.847466 0.314402 Te\n0.121243 0.223720 0.454358 As\n0.878757 0.776280 0.545642 As\n0.256851 0.395292 0.292587 As\n0.743149 0.604708 0.707413 As\n0.756851 0.604708 0.207413 As\n0.243149 0.395292 0.792587 As\n0.378757 0.223720 0.954358 As\n0.621243 0.776280 0.045642 As\n0.753208 0.078948 0.298307 Se\n0.034737 0.102218 0.703816 Se\n0.057414 0.662147 0.382877 Se\n0.227454 0.991840 0.097821 Se\n0.942586 0.337853 0.617123 Se\n0.442586 0.662147 0.882877 Se\n0.786834 0.572218 0.831806 Se\n0.253208 0.921052 0.201693 Se\n0.465263 0.102218 0.203816 Se\n0.633523 0.509658 0.390317 Se\n0.417361 0.939439 0.853796 Se\n0.011451 0.938188 0.881237 Se\n0.965263 0.897782 0.296184 Se\n0.713166 0.572218 0.331806 Se\n0.488549 0.938188 0.381237 Se\n0.511451 0.061812 0.618763 Se\n0.272546 0.991840 0.597821 Se\n0.727454 0.008160 0.402179 Se\n0.746792 0.078948 0.798307 Se\n0.286834 0.427782 0.668194 Se\n0.133523 0.490342 0.109683 Se\n0.557414 0.337853 0.117123 Se\n0.534737 0.897782 0.796184 Se\n0.582639 0.060561 0.146204 Se\n0.246792 0.921052 0.701693 Se\n0.213166 0.427782 0.168194 Se\n0.866477 0.509658 0.890317 Se\n0.772546 0.008160 0.902179 Se\n0.366477 0.490342 0.609683 Se\n0.917361 0.060561 0.646204 Se\n0.988549 0.061812 0.118763 Se\n0.082639 0.939439 0.353796 Se\n0.352253 0.729806 0.491846 S\n0.647747 0.270194 0.508154 S\n0.852253 0.270194 0.008154 S\n0.147747 0.729806 0.991846 S\n0.615347 0.359758 0.473552 O\n0.022203 0.755877 0.966783 O\n0.115347 0.640242 0.026448 O\n0.522203 0.244123 0.533217 O\n0.384653 0.640242 0.526448 O\n0.477797 0.755877 0.466783 O\n0.977797 0.244123 0.033217 O\n0.884653 0.359758 0.973552 O\n0.932011 0.553935 0.228345 F\n0.327962 0.177945 0.304979 F\n0.067989 0.446065 0.771655 F\n0.738202 0.808020 0.579105 F\n0.761798 0.808020 0.079105 F\n0.261798 0.191980 0.420895 F\n0.521093 0.255796 0.987218 F\n0.189094 0.308867 0.250767 F\n0.672038 0.822055 0.695021 F\n0.189579 0.611519 0.280054 F\n0.194154 0.440081 0.462417 F\n0.502643 0.320383 0.920403 F\n0.675726 0.520308 0.665620 F\n0.081599 0.340511 0.313392 F\n0.543948 0.990722 0.055440 F\n0.021093 0.744204 0.512782 F\n0.310421 0.611519 0.780054 F\n0.810421 0.388481 0.719946 F\n0.305846 0.440081 0.962417 F\n0.689094 0.691133 0.249233 F\n0.497357 0.679617 0.079597 F\n0.567989 0.553935 0.728345 F\n0.978907 0.255796 0.487218 F\n0.175726 0.479692 0.834380 F\n0.810906 0.691133 0.749233 F\n0.259462 0.127233 0.988165 F\n0.740538 0.872767 0.011835 F\n0.694154 0.559919 0.037583 F\n0.918401 0.659489 0.686608 F\n0.310906 0.308867 0.750767 F\n0.956052 0.990722 0.555440 F\n0.997357 0.320383 0.420403 F\n0.581599 0.659489 0.186608 F\n0.240538 0.127233 0.488165 F\n0.238202 0.191980 0.920895 F\n0.172038 0.177945 0.804979 F\n0.324274 0.479692 0.334380 F\n0.478907 0.744204 0.012782 F\n0.805846 0.559919 0.537583 F\n0.827962 0.822055 0.195021 F\n0.418401 0.340511 0.813392 F\n0.002643 0.679617 0.579597 F\n0.759462 0.872767 0.511835 F\n0.456052 0.009278 0.944560 F\n0.043948 0.009278 0.444560 F\n0.432011 0.446065 0.271655 F\n0.689579 0.388481 0.219946 F\n0.824274 0.520308 0.165620 F\n",
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"formula_full": "Te8 As8 Se32 S4 O8 F48",
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{
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"structure_string": "Mn2 Ga4 P6 H8 N2 O28\n1.0\n5.089545 6.654554 0.000000\n-5.089545 6.654554 0.000000\n0.000000 2.840895 8.691734\nMn Ga P H N O\n2 4 6 8 2 28\ndirect\n0.227940 0.772060 0.750000 Mn\n0.772060 0.227940 0.250000 Mn\n0.601870 0.754121 0.936753 Ga\n0.245879 0.398130 0.563247 Ga\n0.398130 0.245879 0.063247 Ga\n0.754121 0.601870 0.436753 Ga\n0.505186 0.494814 0.250000 P\n0.494814 0.505186 0.750000 P\n0.664912 0.919474 0.179777 P\n0.080526 0.335088 0.320223 P\n0.335088 0.080526 0.820223 P\n0.919474 0.664912 0.679777 P\n0.271055 0.032834 0.495987 H\n0.967166 0.728945 0.004013 H\n0.728945 0.967166 0.504013 H\n0.032834 0.271055 0.995987 H\n0.417983 0.879438 0.444655 H\n0.120562 0.582017 0.055345 H\n0.582018 0.120562 0.555345 H\n0.879438 0.417983 0.944655 H\n0.863412 0.136588 0.750000 N\n0.136588 0.863412 0.250000 N\n0.476523 0.640027 0.113729 O\n0.359973 0.523477 0.386271 O\n0.523477 0.359973 0.886271 O\n0.640027 0.476523 0.613729 O\n0.203142 0.985086 0.815852 O\n0.014914 0.796858 0.684148 O\n0.796858 0.014914 0.184148 O\n0.985086 0.203142 0.315852 O\n0.462985 0.679954 0.800360 O\n0.320046 0.537015 0.699640 O\n0.537015 0.320046 0.199640 O\n0.679954 0.462985 0.300360 O\n0.316931 0.910477 0.521876 O\n0.089523 0.683069 0.978124 O\n0.683069 0.089523 0.478124 O\n0.910477 0.316931 0.021876 O\n0.737238 0.818469 0.048167 O\n0.181531 0.262762 0.451833 O\n0.262762 0.181531 0.951833 O\n0.818469 0.737238 0.548167 O\n0.510289 0.967668 0.840345 O\n0.032332 0.489711 0.659655 O\n0.489711 0.032332 0.159655 O\n0.967668 0.510289 0.340345 O\n0.794112 0.622407 0.835548 O\n0.377593 0.205888 0.664452 O\n0.205888 0.377593 0.164452 O\n0.622407 0.794112 0.335548 O\n",
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"formula_full": "Mn2 Ga4 P6 H8 N2 O28",
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{
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"structure_string": "Li2 V2 Fe2 P4 H4 O20\n1.0\n5.220982 0.000000 0.000000\n-2.539037 6.995660 0.000000\n-1.208742 -3.393520 9.882054\nLi V Fe P H O\n2 2 2 4 4 20\ndirect\n0.571986 0.644292 0.793627 Li\n0.428014 0.355708 0.206373 Li\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.498998 0.045448 0.821637 P\n0.997190 0.446783 0.677340 P\n0.002810 0.553217 0.322660 P\n0.501002 0.954552 0.178363 P\n0.321412 0.317210 0.967519 H\n0.166560 0.174311 0.514879 H\n0.833440 0.825689 0.485121 H\n0.678588 0.682790 0.032481 H\n0.819250 0.690654 0.976625 O\n0.645173 0.279628 0.902938 O\n0.123849 0.483084 0.828808 O\n0.247917 0.956189 0.879681 O\n0.707325 0.943123 0.835852 O\n0.777480 0.540108 0.668841 O\n0.253944 0.551681 0.625292 O\n0.395248 0.019701 0.671999 O\n0.872788 0.216790 0.595660 O\n0.343688 0.201238 0.484104 O\n0.656312 0.798762 0.515896 O\n0.127212 0.783210 0.404340 O\n0.604752 0.980299 0.328001 O\n0.746056 0.448319 0.374708 O\n0.222520 0.459892 0.331159 O\n0.292675 0.056877 0.164148 O\n0.752083 0.043811 0.120319 O\n0.876151 0.516916 0.171192 O\n0.354827 0.720372 0.097062 O\n0.180750 0.309346 0.023375 O\n",
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{
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{
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"structure_string": "Ba1 Li1 V2 Ni3 H2 O10\n1.0\n-0.040170 -6.028034 -0.003536\n4.709212 -2.983936 -2.213226\n4.811295 -2.979475 5.511333\nBa Li V Ni H O\n1 1 2 3 2 10\ndirect\n0.096479 0.469801 0.492279 Ba\n0.523839 0.793990 0.641625 Li\n0.587274 0.106587 0.745056 V\n0.429780 0.910217 0.244471 V\n0.007470 0.020699 0.991269 Ni\n0.002622 0.505447 0.004159 Ni\n0.518494 0.500761 0.993928 Ni\n0.195672 0.765120 0.729404 H\n0.735939 0.223452 0.282347 H\n0.229171 0.246007 0.832565 O\n0.740443 0.261011 0.799277 O\n0.772294 0.779739 0.178310 O\n0.298137 0.778727 0.161554 O\n0.729824 0.734023 0.822550 O\n0.296656 0.262594 0.173615 O\n0.330932 0.804112 0.489228 O\n0.590266 0.133657 0.510251 O\n0.211401 0.733685 0.858473 O\n0.797056 0.282873 0.141306 O\n",
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{
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"structure_string": "Ba10 Al4 In4 Ir2 Cl2 O26\n1.0\n2.971518 -5.146821 0.000000\n2.971518 5.146821 0.000000\n0.000000 0.000000 25.552576\nBa Al In Ir Cl O\n10 4 4 2 2 26\ndirect\n0.000000 0.000000 0.750000 Ba\n0.666667 0.333333 0.039722 Ba\n0.333333 0.666667 0.539722 Ba\n0.333333 0.666667 0.368408 Ba\n0.666667 0.333333 0.631592 Ba\n0.666667 0.333333 0.868408 Ba\n0.333333 0.666667 0.960278 Ba\n0.333333 0.666667 0.131592 Ba\n0.666667 0.333333 0.460278 Ba\n0.000000 0.000000 0.250000 Ba\n0.333333 0.666667 0.682039 Al\n0.666667 0.333333 0.182039 Al\n0.666667 0.333333 0.317961 Al\n0.333333 0.666667 0.817961 Al\n0.000000 0.000000 0.887435 In\n0.000000 0.000000 0.112565 In\n0.000000 0.000000 0.387435 In\n0.000000 0.000000 0.612565 In\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.666667 0.333333 0.750000 Cl\n0.333333 0.666667 0.250000 Cl\n0.826711 0.653422 0.155928 O\n0.333333 0.666667 0.750000 O\n0.845448 0.690896 0.547678 O\n0.173289 0.826711 0.844072 O\n0.826711 0.173289 0.344072 O\n0.154552 0.845448 0.452322 O\n0.154552 0.845448 0.047678 O\n0.346578 0.173289 0.344072 O\n0.154552 0.309104 0.452322 O\n0.845448 0.154552 0.952322 O\n0.309104 0.154552 0.547678 O\n0.173289 0.826711 0.655928 O\n0.690896 0.845448 0.452322 O\n0.666667 0.333333 0.250000 O\n0.173289 0.346578 0.844072 O\n0.173289 0.346578 0.655928 O\n0.826711 0.653422 0.344072 O\n0.690896 0.845448 0.047678 O\n0.309104 0.154552 0.952322 O\n0.845448 0.154552 0.547678 O\n0.653422 0.826711 0.655928 O\n0.826711 0.173289 0.155928 O\n0.346578 0.173289 0.155928 O\n0.845448 0.690896 0.952322 O\n0.154552 0.309104 0.047678 O\n0.653422 0.826711 0.844072 O\n",
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}