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{
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"structure_string": "Rb2 Br1 Cl6 F1\n1.0\n-0.000000 5.043352 5.043352\n5.043352 -0.000000 5.043352\n5.043352 5.043352 0.000000\nRb Br Cl F\n2 1 6 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Br\n0.254188 0.745812 0.745812 Cl\n0.254188 0.745812 0.254188 Cl\n0.745812 0.254188 0.745812 Cl\n0.745812 0.745812 0.254188 Cl\n0.254188 0.254188 0.745812 Cl\n0.745812 0.254188 0.254188 Cl\n0.000000 0.000000 0.000000 F\n",
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"structure_string": "Li4 Fe3 Te1 O12\n1.0\n0.000000 4.788770 -0.012102\n8.097378 0.000000 0.000000\n0.000000 -0.075143 -4.917047\nLi Fe Te O\n4 3 1 12\ndirect\n0.000000 0.698616 0.000000 Li\n0.500000 0.802056 -0.000000 Li\n0.000000 0.333537 0.500000 Li\n0.500000 0.204215 0.500000 Li\n0.500000 0.424671 -0.000000 Fe\n0.000000 0.897085 0.500000 Fe\n0.500000 0.606791 0.500000 Fe\n0.000000 0.101778 0.000000 Te\n0.794054 0.918051 0.175583 O\n0.304945 0.433983 0.313486 O\n0.207480 0.079392 0.336285 O\n0.246664 0.755231 0.357349 O\n0.753336 0.755231 0.642651 O\n0.301205 0.587089 0.817630 O\n0.695055 0.433983 0.686514 O\n0.205947 0.918051 0.824417 O\n0.698796 0.587089 0.182370 O\n0.252030 0.262420 0.839046 O\n0.792520 0.079392 0.663715 O\n0.747971 0.262420 0.160954 O\n",
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{
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"updated_at": "2022-09-04T14:38:13.714855Z",
"structure_string": "Ba1 Ca1 Bi4 O8\n1.0\n3.187501 -5.520915 -0.000000\n3.187501 5.520915 -0.000000\n0.000000 -0.000000 7.583400\nBa Ca Bi O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.723121 Bi\n0.666667 0.333333 0.723121 Bi\n0.333333 0.666667 0.276879 Bi\n0.666667 0.333333 0.276879 Bi\n0.287108 0.287108 0.708490 O\n0.712891 -0.000000 0.708490 O\n-0.000000 0.712891 0.708490 O\n0.712890 0.712890 0.291510 O\n-0.000000 0.287109 0.291510 O\n0.287109 -0.000000 0.291510 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
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{
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"structure_string": "K1 Cd1 N3 O6\n1.0\n5.733485 -0.000000 -0.000000\n0.000000 5.733485 -0.000000\n-0.000000 0.000000 5.733485\nK Cd N O\n1 1 3 6\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.717886 O\n0.000000 0.717886 0.500000 O\n0.000000 0.282113 0.500000 O\n0.500000 0.000000 0.282113 O\n0.282113 0.500000 0.000000 O\n0.717886 0.500000 0.000000 O\n",
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{
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"structure_string": "Li4 Co4 Si4 O16\n1.0\n5.006655 -0.000000 0.000000\n0.000000 6.334478 0.000000\n-0.000000 -0.000000 10.653987\nLi Co Si O\n4 4 4 16\ndirect\n0.758997 0.015218 0.159302 Li\n0.758997 0.484783 0.659302 Li\n0.258997 0.515218 0.340698 Li\n0.258997 0.984783 0.840698 Li\n0.259061 0.224936 0.586250 Co\n0.259061 0.275064 0.086250 Co\n0.759060 0.724937 0.913750 Co\n0.759060 0.775064 0.413750 Co\n0.763280 0.983008 0.670890 Si\n0.763280 0.516992 0.170890 Si\n0.263280 0.483008 0.829111 Si\n0.263280 0.016992 0.329111 Si\n0.130812 0.801264 0.389544 O\n0.695947 0.770779 0.585536 O\n0.695947 0.729221 0.085536 O\n0.130812 0.698736 0.889544 O\n0.090362 0.489953 0.175773 O\n0.647879 0.547356 0.314966 O\n0.147879 0.452644 0.685034 O\n0.590361 0.989953 0.324227 O\n0.630812 0.301264 0.110457 O\n0.195947 0.270779 0.914464 O\n0.195947 0.229221 0.414464 O\n0.630812 0.198736 0.610457 O\n0.090362 0.010047 0.675773 O\n0.147879 0.047356 0.185034 O\n0.590361 0.510047 0.824227 O\n0.647879 0.952644 0.814966 O\n",
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"structure_string": "Y1 H3 C3 O6\n1.0\n5.559706 -0.001939 -2.657770\n-4.215818 3.624529 -2.657770\n-0.000719 -0.001939 6.162311\nY H C O\n1 3 3 6\ndirect\n0.004774 0.004774 0.004774 Y\n0.362804 0.362804 0.846795 H\n0.362804 0.846796 0.362804 H\n0.846796 0.362804 0.362804 H\n0.149623 0.611170 0.611170 C\n0.611170 0.149623 0.611170 C\n0.611170 0.611170 0.149623 C\n0.342414 0.594687 0.594687 O\n0.890431 0.283914 0.890430 O\n0.890431 0.890430 0.283914 O\n0.283914 0.890430 0.890430 O\n0.594687 0.342414 0.594687 O\n0.594687 0.594687 0.342414 O\n",
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"structure_string": "Ba1 Ca1 Cu4 O8\n1.0\n2.689507 -4.658362 -0.000000\n2.689507 4.658362 -0.000000\n0.000000 0.000000 7.707025\nBa Ca Cu O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333334 0.666668 0.757751 Cu\n0.666668 0.333334 0.757751 Cu\n0.333334 0.666668 0.242249 Cu\n0.666668 0.333334 0.242249 Cu\n0.327295 0.327295 0.701874 O\n0.672706 0.000001 0.701874 O\n0.000001 0.672706 0.701874 O\n0.672707 0.672707 0.298127 O\n0.000000 0.327294 0.298127 O\n0.327294 0.000000 0.298127 O\n0.333334 0.666668 0.000000 O\n0.666668 0.333334 0.000000 O\n",
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"structure_string": "Na6 Sb6 As4 O28\n1.0\n0.000000 6.528426 0.017275\n7.349502 0.000000 0.000000\n0.000000 -3.762415 -12.083091\nNa Sb As O\n6 6 4 28\ndirect\n0.000000 0.000000 0.000000 Na\n0.538157 0.713288 0.433280 Na\n0.461844 0.286712 0.566719 Na\n0.538157 0.786712 0.933280 Na\n0.000000 0.500000 0.500000 Na\n0.461844 0.213288 0.066719 Na\n0.022871 0.240793 0.252497 Sb\n0.022871 0.259206 0.752497 Sb\n0.977130 0.759206 0.747503 Sb\n0.977130 0.740793 0.247503 Sb\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.582486 0.235649 0.338006 As\n0.582487 0.264351 0.838006 As\n0.417515 0.764351 0.661993 As\n0.417514 0.735649 0.161993 As\n0.074724 0.005753 0.803215 O\n0.038589 0.705526 0.907319 O\n0.925278 0.505753 0.696784 O\n0.961412 0.294473 0.092680 O\n0.294986 0.719813 0.763344 O\n0.105026 0.310345 0.916125 O\n0.705015 0.219813 0.736655 O\n0.608229 0.404138 0.429631 O\n0.894975 0.689655 0.083875 O\n0.074723 0.494247 0.303215 O\n0.961413 0.205526 0.592680 O\n0.682260 0.470468 0.904301 O\n0.391772 0.904138 0.070369 O\n0.038589 0.794473 0.407319 O\n0.671673 0.686809 0.248402 O\n0.328328 0.313190 0.751597 O\n0.894975 0.810344 0.583875 O\n0.391772 0.595862 0.570369 O\n0.682259 0.029532 0.404301 O\n0.317742 0.970468 0.595698 O\n0.105026 0.189655 0.416125 O\n0.671674 0.813190 0.748402 O\n0.608229 0.095862 0.929631 O\n0.705015 0.280186 0.236655 O\n0.317742 0.529532 0.095698 O\n0.925277 0.994246 0.196784 O\n0.294986 0.780186 0.263344 O\n0.328327 0.186810 0.251597 O\n",
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"structure_string": "Li2 Mn2 Ni2 O8\n1.0\n5.766875 0.000000 0.000000\n2.883437 4.952762 0.039649\n2.883437 1.688303 4.656292\nLi Mn Ni O\n2 2 2 8\ndirect\n0.122077 0.127923 0.127923 Li\n0.877923 0.872076 0.872077 Li\n0.500000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000001 0.500000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.265205 0.263033 0.263033 O\n0.266392 0.256306 0.710910 O\n0.266392 0.710910 0.256306 O\n0.708729 0.263033 0.263033 O\n0.291272 0.736966 0.736967 O\n0.733608 0.743693 0.289090 O\n0.733609 0.289089 0.743693 O\n0.734796 0.736966 0.736967 O\n",
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}