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{
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"structure_string": "Cu1 H12 I4 N4\n1.0\n5.468622 4.376664 -4.382862\n-5.468622 4.376664 4.382862\n0.083170 0.000000 6.597839\nCu H I N\n1 12 4 4\ndirect\n0.500000 0.500000 0.000000 Cu\n0.719317 0.791365 0.145011 H\n0.208634 0.280682 0.145011 H\n0.791365 0.719317 0.854989 H\n0.555671 0.876198 0.851152 H\n0.123801 0.444328 0.851152 H\n0.280682 0.208634 0.854989 H\n0.876198 0.555671 0.148848 H\n0.495156 0.763626 0.104973 H\n0.236373 0.504843 0.104973 H\n0.504843 0.236373 0.895027 H\n0.763626 0.495156 0.895027 H\n0.444328 0.123801 0.148848 H\n0.907381 0.092618 0.535296 I\n0.092618 0.907381 0.464704 I\n0.699288 0.300711 0.619870 I\n0.300711 0.699288 0.380130 I\n0.238427 0.425304 0.027291 N\n0.761572 0.574695 0.972709 N\n0.425304 0.238427 0.972709 N\n0.574695 0.761572 0.027291 N\n",
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{
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"structure_string": "Ba4 Pr2 Ir2 O12\n1.0\n6.085285 -0.000000 0.000000\n0.000000 6.085285 -0.000000\n-0.000000 -0.000000 8.613992\nBa Pr Ir O\n4 2 2 12\ndirect\n0.500000 0.000000 0.250000 Ba\n0.500000 0.000000 0.750000 Ba\n0.000000 0.500000 0.750000 Ba\n0.000000 0.500000 0.250000 Ba\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.500000 Pr\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.740015 0.279964 0.500000 O\n0.259985 0.720036 0.500000 O\n0.500000 0.500000 0.730105 O\n0.000000 0.000000 0.230105 O\n0.279964 0.259985 0.500000 O\n0.500000 0.500000 0.269895 O\n0.220036 0.759986 0.000000 O\n0.000000 0.000000 0.769895 O\n0.759986 0.779965 0.000000 O\n0.779965 0.240015 0.000000 O\n0.720036 0.740015 0.500000 O\n0.240015 0.220036 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:35:59.323882Z",
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"structure_string": "Te4 Mo2 W1 Se2\n1.0\n3.485995 -0.000001 0.000001\n-1.742998 3.018963 0.000009\n0.000008 0.000077 30.308893\nTe Mo W Se\n4 2 1 2\ndirect\n0.333326 0.666656 0.403221 Te\n0.666684 0.333370 0.519610 Te\n0.666668 0.333336 0.641711 Te\n0.333312 0.666626 0.281626 Te\n0.333313 0.666627 0.117808 Mo\n0.666654 0.333309 0.342423 Mo\n0.333343 0.666687 0.580723 W\n0.666650 0.333302 0.064337 Se\n0.666643 0.333287 0.171383 Se\n",
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{
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"structure_string": "Ba6 Ge2 O10\n1.0\n-3.684960 3.684960 5.872065\n3.684960 -3.684960 5.872065\n3.684960 3.684960 -5.872065\nBa Ge O\n6 2 10\ndirect\n0.819885 0.319885 0.139769 Ba\n0.250000 0.250000 0.000000 Ba\n0.750001 0.750001 0.000000 Ba\n0.319884 0.180116 0.500000 Ba\n0.680116 0.819885 0.500000 Ba\n0.180116 0.680116 0.860231 Ba\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n0.207422 0.707422 0.228705 O\n0.292578 0.521283 0.500000 O\n0.792578 0.292578 0.771295 O\n0.707422 0.478717 0.500000 O\n0.521283 0.021283 0.228705 O\n0.000000 0.000000 0.000000 O\n0.978717 0.207422 0.500000 O\n0.021283 0.792578 0.500000 O\n0.500000 0.500000 0.000000 O\n0.478717 0.978717 0.771295 O\n",
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{
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"created_at": "2022-09-04T14:38:10.313713Z",
"updated_at": "2022-09-04T14:38:10.313742Z",
"structure_string": "Sr5 Bi3 O12\n1.0\n6.003604 -0.004795 0.004905\n0.004017 6.201581 -0.010467\n0.028853 0.065077 8.566201\nSr Bi O\n5 3 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.983404 0.445644 0.241883 Sr\n0.512755 0.948963 0.244299 Sr\n0.487244 0.051036 0.755702 Sr\n0.016596 0.554356 0.758117 Sr\n0.500000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n-0.000000 0.000000 0.500000 Bi\n0.208860 0.323538 0.952415 O\n0.289773 0.792232 0.561105 O\n0.328527 0.788489 0.946655 O\n0.389274 0.546972 0.250567 O\n0.610725 0.453028 0.749433 O\n0.795252 0.715094 0.431470 O\n0.710227 0.207768 0.438895 O\n0.791139 0.676461 0.047585 O\n0.204747 0.284905 0.568531 O\n0.887895 0.951758 0.729558 O\n0.671472 0.211511 0.053345 O\n0.112104 0.048242 0.270442 O\n",
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{
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"created_at": "2022-09-04T14:38:34.142995Z",
"updated_at": "2022-09-04T14:38:34.143012Z",
"structure_string": "Sm4 Pb2 S8\n1.0\n7.030303 -0.009610 -2.479702\n-3.523473 6.083616 -2.479702\n0.005549 0.009610 7.454801\nSm Pb S\n4 2 8\ndirect\n0.117085 0.750001 0.867085 Sm\n0.250000 0.617085 0.367085 Sm\n0.382915 0.250000 0.632916 Sm\n0.750000 0.882916 0.132916 Sm\n0.625000 0.375000 0.250000 Pb\n0.875000 0.125000 0.750000 Pb\n0.011363 0.858527 0.497306 S\n0.141473 0.138779 0.152835 S\n0.358527 0.511362 0.997306 S\n0.638779 0.641474 0.652836 S\n0.488639 0.985944 0.847166 S\n0.485944 0.988639 0.347166 S\n0.861222 0.514057 0.002695 S\n0.014057 0.361222 0.502695 S\n",
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{
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"created_at": "2022-09-04T14:37:59.252151Z",
"updated_at": "2022-09-04T14:37:59.252184Z",
"structure_string": "Mo3 W1 Se4 S4\n1.0\n3.256364 0.000000 0.000000\n-1.628182 2.820103 -0.000045\n0.000000 -0.000552 34.721627\nMo W Se S\n3 1 4 4\ndirect\n0.333328 0.666656 0.095012 Mo\n0.333323 0.666647 0.471381 Mo\n0.666640 0.333281 0.279749 Mo\n0.666709 0.333419 0.656771 W\n0.333314 0.666631 0.328680 Se\n0.666642 0.333285 0.422452 Se\n0.666673 0.333347 0.520294 Se\n0.333297 0.666595 0.230836 Se\n0.333380 0.666762 0.701487 S\n0.666655 0.333311 0.050517 S\n0.666671 0.333343 0.139565 S\n0.333360 0.666722 0.612006 S\n",
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"structure_string": "Sr6 Cd2 Pt2 O12\n1.0\n6.831430 0.035789 -0.047679\n-0.048262 6.831354 -0.047679\n0.035351 0.035789 6.831505\nSr Cd Pt O\n6 2 2 12\ndirect\n0.750000 0.386512 0.113488 Sr\n0.113488 0.750000 0.386512 Sr\n0.386512 0.113488 0.750000 Sr\n0.886512 0.250000 0.613488 Sr\n0.250000 0.613488 0.886513 Sr\n0.613488 0.886512 0.250000 Sr\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.948161 0.082960 0.285402 O\n0.582960 0.448161 0.785402 O\n0.214599 0.417040 0.551839 O\n0.551839 0.214599 0.417040 O\n0.417040 0.551839 0.214599 O\n0.917040 0.714598 0.051839 O\n0.051839 0.917040 0.714599 O\n0.714598 0.051839 0.917040 O\n0.785402 0.582960 0.448161 O\n0.448161 0.785401 0.582960 O\n0.285402 0.948160 0.082960 O\n0.082960 0.285401 0.948161 O\n",
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"created_at": "2022-09-04T14:36:34.256833Z",
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"structure_string": "Te4 Mo2 W1 Se2\n1.0\n3.485898 0.000000 0.000000\n-1.742949 3.018892 0.000010\n0.000000 0.000095 30.297479\nTe Mo W Se\n4 2 1 2\ndirect\n0.333305 0.666611 0.403602 Te\n0.666674 0.333346 0.519937 Te\n0.666664 0.333326 0.641529 Te\n0.333310 0.666621 0.281385 Te\n0.333334 0.666668 0.117675 Mo\n0.333334 0.666667 0.580787 Mo\n0.666644 0.333287 0.342487 W\n0.666668 0.333335 0.064180 Se\n0.666671 0.333341 0.171262 Se\n",
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{
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"created_at": "2022-09-04T14:37:09.075041Z",
"updated_at": "2022-09-04T14:37:09.075062Z",
"structure_string": "Nb4 Pb4 O14\n1.0\n0.000000 5.422202 5.422202\n5.422202 0.000000 5.422202\n5.422202 5.422202 -0.000000\nNb Pb O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Pb\n0.500000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.811431 0.438569 0.811431 O\n0.811431 0.811431 0.438569 O\n0.438569 0.438569 0.811431 O\n0.438569 0.811431 0.438569 O\n0.188570 0.561431 0.561431 O\n0.811431 0.438569 0.438569 O\n0.561431 0.188570 0.561431 O\n0.188570 0.561431 0.188570 O\n0.188570 0.188570 0.561431 O\n0.438569 0.811431 0.811431 O\n0.561431 0.188570 0.188570 O\n0.125000 0.125000 0.125000 O\n0.561431 0.561431 0.188570 O\n0.875000 0.875000 0.875000 O\n",
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"structure_string": "Li4 Mn4 P4 O16\n1.0\n0.000000 7.841846 0.118089\n4.942641 0.000000 0.000000\n0.000000 -1.480853 -8.247660\nLi Mn P O\n4 4 4 16\ndirect\n0.135280 -0.035796 0.541284 Li\n0.648005 0.037027 0.954710 Li\n0.351996 0.537027 0.045290 Li\n0.864721 0.464204 0.458716 Li\n0.486410 0.593731 0.727019 Mn\n0.025392 0.014954 0.178244 Mn\n0.974609 0.514954 0.821756 Mn\n0.513591 0.093731 0.272981 Mn\n0.742249 0.509033 0.099233 P\n0.257752 0.009033 0.900766 P\n0.768752 0.958416 0.620719 P\n0.231249 0.458416 0.379281 P\n0.422946 0.954810 0.034433 O\n0.068365 0.286378 0.395379 O\n0.894386 0.360238 0.038938 O\n0.293355 0.879881 0.742639 O\n0.706645 0.379881 0.257361 O\n0.783813 0.812795 0.126377 O\n0.374905 0.406950 0.528422 O\n0.625096 0.906950 0.471578 O\n0.817487 0.260642 0.645683 O\n0.577055 0.454810 0.965567 O\n0.216188 0.312795 0.873623 O\n0.931635 0.786378 0.604621 O\n0.297251 0.348555 0.226781 O\n0.105615 0.860238 0.961061 O\n0.702750 0.848555 0.773218 O\n0.182514 0.760642 0.354316 O\n",
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}