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"structure_string": "Li5 Fe1 S4\n1.0\n6.044598 0.022898 -4.733137\n-0.394923 3.568882 -6.785823\n-0.042223 -0.022898 7.677107\nLi Fe S\n5 1 4\ndirect\n0.394635 0.177188 0.217447 Li\n0.959742 0.177188 0.782554 Li\n0.040259 0.822811 0.217447 Li\n0.605366 0.822811 0.782554 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.499999 0.500000 Fe\n0.756543 -0.000000 0.756542 S\n0.204747 0.704746 0.500000 S\n0.795254 0.295253 0.500000 S\n0.243458 -0.000000 0.243458 S\n",
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{
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"structure_string": "Tl2 Si1 F6\n1.0\n5.179175 -0.000000 2.990198\n1.726392 4.882973 2.990198\n0.000000 0.000000 5.980396\nTl Si F\n2 1 6\ndirect\n0.749999 0.750000 0.750002 Tl\n0.250000 0.250000 0.250001 Tl\n0.000000 0.000000 0.000000 Si\n0.203767 0.796232 0.796234 F\n0.203767 0.796232 0.203768 F\n0.796232 0.203767 0.796234 F\n0.796232 0.203767 0.203768 F\n0.796232 0.796232 0.203769 F\n0.203767 0.203767 0.796233 F\n",
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{
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"structure_string": "Tl2 I2 O8\n1.0\n5.476334 -0.000000 -2.172256\n-0.861652 5.408123 -2.172256\n-0.153931 -0.180398 7.601078\nTl I O\n2 2 8\ndirect\n0.375000 0.125000 0.750000 Tl\n0.625000 0.874999 0.249999 Tl\n0.875000 0.624999 0.749999 I\n0.125000 0.375000 0.250000 I\n0.927794 0.329166 0.590257 O\n0.261092 0.427795 0.090257 O\n0.829165 0.162463 0.090257 O\n0.662463 0.761091 0.590257 O\n0.337537 0.238908 0.409742 O\n0.170834 0.837536 0.909742 O\n0.738908 0.572205 0.909741 O\n0.072205 0.670833 0.409742 O\n",
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{
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"structure_string": "Nb1 B4 Mo3\n1.0\n4.595902 -0.001881 0.000000\n-3.474844 3.007953 0.000000\n0.000000 0.000000 6.206082\nNb B Mo\n1 4 3\ndirect\n0.852711 0.147289 -0.000000 Nb\n0.559304 0.440696 -0.000000 B\n0.559234 0.440765 0.500000 B\n0.442401 0.557598 0.252644 B\n0.442401 0.557598 0.747355 B\n0.854846 0.145154 0.500000 Mo\n0.144550 0.855449 0.254036 Mo\n0.144550 0.855449 0.745963 Mo\n",
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"updated_at": "2022-09-04T14:36:57.700922Z",
"structure_string": "Na2 Pr2 O4\n1.0\n4.466376 -0.000000 -1.779695\n-0.709146 4.409719 -1.779695\n-0.006110 -0.007171 6.478987\nNa Pr O\n2 2 4\ndirect\n0.875001 0.125000 0.750000 Na\n0.124999 0.875000 0.249999 Na\n0.625000 0.375000 0.249999 Pr\n0.375000 0.625000 0.750000 Pr\n0.153910 0.403910 0.307821 O\n0.403910 0.153910 0.807821 O\n0.596090 0.846090 0.192178 O\n0.846090 0.596090 0.692178 O\n",
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{
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"created_at": "2022-09-04T14:36:57.701945Z",
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"structure_string": "Cd1 Pb3 Se4\n1.0\n4.280142 0.020231 13.573881\n2.106206 3.726114 13.573881\n0.034488 0.020231 14.232662\nCd Pb Se\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.253270 0.253269 0.253270 Pb\n0.500001 0.499999 0.500000 Pb\n0.746732 0.746729 0.746730 Pb\n0.123294 0.123294 0.123294 Se\n0.369403 0.369401 0.369402 Se\n0.630599 0.630597 0.630598 Se\n0.876708 0.876704 0.876706 Se\n",
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{
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"structure_string": "K1 La1 O2\n1.0\n3.554556 -0.009623 5.529835\n1.616791 3.165588 5.529835\n-0.015769 -0.009623 6.573712\nK La O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500001 0.499998 La\n0.768442 0.768445 0.768440 O\n0.231557 0.231558 0.231557 O\n",
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{
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"structure_string": "Ca1 Mg2 As2\n1.0\n2.177059 -3.770776 0.000000\n2.177059 3.770776 0.000000\n0.000000 0.000000 7.103615\nCa Mg As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333333 0.634407 Mg\n0.333333 0.666668 0.365592 Mg\n0.333333 0.666668 0.751550 As\n0.666668 0.333333 0.248449 As\n",
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{
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"structure_string": "Li1 Ga2 Ir1\n1.0\n3.732263 0.000000 2.154823\n1.244088 3.518811 2.154823\n-0.000000 -0.000000 4.309646\nLi Ga Ir\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Ga\n0.750000 0.750000 0.750000 Ga\n0.000000 0.000000 0.000000 Ir\n",
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