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{
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{
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"structure_string": "Tl4 F12\n1.0\n4.892478 0.000000 0.000000\n-0.000000 5.953591 0.000000\n0.000000 0.000000 7.115523\nTl F\n4 12\ndirect\n0.961212 0.629133 0.750000 Tl\n0.461212 0.870867 0.250000 Tl\n0.538788 0.129133 0.750000 Tl\n0.038788 0.370867 0.250000 Tl\n0.340998 0.163999 0.432638 F\n0.840999 0.336001 0.567361 F\n0.159002 0.663999 0.067361 F\n0.659002 0.836001 0.932638 F\n0.628234 0.533047 0.250000 F\n0.128233 0.966952 0.750000 F\n0.871767 0.033048 0.250000 F\n0.371767 0.466952 0.750000 F\n0.340998 0.163999 0.067361 F\n0.840999 0.336001 0.932638 F\n0.159002 0.663999 0.432638 F\n0.659002 0.836001 0.567361 F\n",
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"structure_string": "Ca4 S4 O16\n1.0\n5.326653 0.000000 0.000000\n0.000000 6.788584 0.000000\n0.000000 0.000000 7.842514\nCa S O\n4 4 16\ndirect\n0.250000 0.173469 0.188795 Ca\n0.750000 0.826531 0.811205 Ca\n0.250000 0.326531 0.688795 Ca\n0.750000 0.673468 0.311205 Ca\n0.750000 0.322627 0.945792 S\n0.250000 0.822627 0.554208 S\n0.750000 0.177372 0.445792 S\n0.250000 0.677372 0.054208 S\n0.250000 0.962299 0.699070 O\n0.521451 0.195623 0.934040 O\n0.750000 0.462299 0.800929 O\n0.021451 0.695623 0.565959 O\n0.750000 0.037700 0.300929 O\n0.978548 0.195623 0.934040 O\n0.978548 0.304377 0.434040 O\n0.250000 0.537700 0.199070 O\n0.021451 0.804376 0.065960 O\n0.750000 0.424105 0.110608 O\n0.478549 0.695623 0.565959 O\n0.478549 0.804376 0.065960 O\n0.750000 0.075895 0.610608 O\n0.250000 0.924104 0.389392 O\n0.250000 0.575895 0.889392 O\n0.521451 0.304377 0.434040 O\n",
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{
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