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{
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"structure_string": "Sn8 P12 Cl96\n1.0\n0.000000 -0.000000 14.743366\n15.670094 0.000000 0.000000\n-0.000000 15.670094 -0.000000\nSn P Cl\n8 12 96\ndirect\n0.000000 0.125181 0.257384 Sn\n-0.000000 0.874819 0.742616 Sn\n0.500000 0.742616 0.125181 Sn\n0.000000 0.374819 0.757384 Sn\n0.500000 0.257384 0.874819 Sn\n-0.000000 0.625181 0.242616 Sn\n0.500000 0.757384 0.625181 Sn\n0.500000 0.242616 0.374819 Sn\n0.250000 -0.000000 0.000000 P\n0.750000 -0.000000 0.000000 P\n0.750000 0.500000 0.500000 P\n0.250000 0.500000 0.500000 P\n0.250000 0.126995 0.626995 P\n0.750000 0.873005 0.373005 P\n0.250000 0.873005 0.373005 P\n0.750000 0.373005 0.126995 P\n0.750000 0.126995 0.626995 P\n0.250000 0.626995 0.873005 P\n0.750000 0.626995 0.873005 P\n0.250000 0.373005 0.126995 P\n0.000000 0.219307 0.130112 Cl\n-0.000000 0.780693 0.869888 Cl\n0.500000 0.869888 0.219307 Cl\n-0.000000 0.280693 0.630112 Cl\n0.500000 0.130112 0.780693 Cl\n0.000000 0.719307 0.369888 Cl\n0.500000 0.630112 0.719307 Cl\n0.500000 0.369888 0.280693 Cl\n0.174275 0.372656 0.024473 Cl\n0.825725 0.627344 0.975527 Cl\n0.174275 0.627344 0.975527 Cl\n0.674275 0.975527 0.372656 Cl\n0.825725 0.127344 0.524473 Cl\n0.825725 0.372656 0.024473 Cl\n0.325725 0.024473 0.627344 Cl\n0.174275 0.872656 0.475527 Cl\n0.674275 0.024473 0.627344 Cl\n0.825725 0.872656 0.475527 Cl\n0.325725 0.975527 0.372656 Cl\n0.174275 0.127344 0.524473 Cl\n0.325725 0.524473 0.872656 Cl\n0.674275 0.475527 0.127344 Cl\n0.325725 0.475527 0.127344 Cl\n0.674275 0.524473 0.872656 Cl\n0.327775 0.006357 0.100817 Cl\n0.672225 0.993643 0.899183 Cl\n0.327775 0.993643 0.899183 Cl\n0.827775 0.899183 0.006357 Cl\n0.672225 0.493643 0.600817 Cl\n0.672225 0.006357 0.100817 Cl\n0.172225 0.100817 0.993643 Cl\n0.327775 0.506357 0.399183 Cl\n0.827775 0.100817 0.993643 Cl\n0.672225 0.506357 0.399183 Cl\n0.172225 0.899183 0.006357 Cl\n0.327775 0.493643 0.600817 Cl\n0.172225 0.600817 0.506357 Cl\n0.827775 0.399183 0.493643 Cl\n0.172225 0.399183 0.493643 Cl\n0.827775 0.600817 0.506357 Cl\n0.328494 0.272428 0.127422 Cl\n0.671506 0.727572 0.872578 Cl\n0.328494 0.727572 0.872578 Cl\n0.828494 0.872578 0.272428 Cl\n0.671506 0.227572 0.627422 Cl\n0.671506 0.272428 0.127422 Cl\n0.171506 0.127422 0.727572 Cl\n0.328494 0.772428 0.372578 Cl\n0.828494 0.127422 0.727572 Cl\n0.671506 0.772428 0.372578 Cl\n0.171506 0.872578 0.272428 Cl\n0.328494 0.227572 0.627422 Cl\n0.171506 0.627422 0.772428 Cl\n0.828494 0.372578 0.227572 Cl\n0.171506 0.372578 0.227572 Cl\n0.828494 0.627422 0.772428 Cl\n0.000000 0.998992 0.161271 Cl\n-0.000000 0.001008 0.838729 Cl\n0.500000 0.838729 0.998992 Cl\n-0.000000 0.501008 0.661271 Cl\n0.500000 0.161271 0.001008 Cl\n0.000000 0.498992 0.338729 Cl\n0.500000 0.661271 0.498992 Cl\n0.500000 0.338729 0.501008 Cl\n-0.000000 0.030592 0.383771 Cl\n0.000000 0.969408 0.616229 Cl\n0.500000 0.616229 0.030592 Cl\n0.000000 0.469408 0.883771 Cl\n0.500000 0.383771 0.969408 Cl\n-0.000000 0.530592 0.116229 Cl\n0.500000 0.883771 0.530592 Cl\n0.500000 0.116229 0.469408 Cl\n0.166621 0.124750 0.256984 Cl\n0.833379 0.875250 0.743016 Cl\n0.166621 0.875250 0.743016 Cl\n0.666621 0.743016 0.124750 Cl\n0.833379 0.375250 0.756984 Cl\n0.833379 0.124750 0.256984 Cl\n0.333379 0.256984 0.875250 Cl\n0.166621 0.624750 0.243016 Cl\n0.666621 0.256984 0.875250 Cl\n0.833379 0.624750 0.243016 Cl\n0.333379 0.743016 0.124750 Cl\n0.166621 0.375250 0.756984 Cl\n0.333379 0.756984 0.624750 Cl\n0.666621 0.243016 0.375250 Cl\n0.333379 0.243016 0.375250 Cl\n0.666621 0.756984 0.624750 Cl\n-0.000000 0.250211 0.354495 Cl\n0.000000 0.749789 0.645505 Cl\n0.500000 0.645505 0.250211 Cl\n0.000000 0.249789 0.854495 Cl\n0.500000 0.354495 0.749789 Cl\n-0.000000 0.750211 0.145505 Cl\n0.500000 0.854495 0.750211 Cl\n0.500000 0.145505 0.249789 Cl\n",
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{
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"structure_string": "Ba8 Na2 Ga4 B16 Br6 O36\n1.0\n12.390143 0.000000 0.000000\n0.000000 12.390143 0.000000\n0.000000 0.000000 6.989228\nBa Na Ga B Br O\n8 2 4 16 6 36\ndirect\n0.983271 0.273917 0.012377 Ba\n0.016729 0.726083 0.012377 Ba\n0.516729 0.773917 0.512377 Ba\n0.483271 0.226083 0.512377 Ba\n0.726083 0.016729 0.012377 Ba\n0.273917 0.983271 0.012377 Ba\n0.773917 0.516729 0.512377 Ba\n0.226083 0.483271 0.512377 Ba\n0.000000 0.000000 0.359569 Na\n0.500000 0.500000 0.859569 Na\n0.798174 0.201826 0.517604 Ga\n0.201826 0.798174 0.517604 Ga\n0.701826 0.701826 0.017604 Ga\n0.298174 0.298174 0.017604 Ga\n0.036778 0.232656 0.552912 B\n0.963222 0.767344 0.552912 B\n0.463222 0.732656 0.052912 B\n0.536778 0.267344 0.052912 B\n0.767344 0.963222 0.552912 B\n0.232656 0.036778 0.552912 B\n0.732656 0.463222 0.052912 B\n0.267344 0.536778 0.052912 B\n0.733014 0.266986 0.142929 B\n0.266986 0.733014 0.142929 B\n0.766986 0.766986 0.642929 B\n0.233014 0.233014 0.642929 B\n0.683817 0.316183 0.818138 B\n0.316183 0.683817 0.818138 B\n0.816183 0.816183 0.318138 B\n0.183817 0.183817 0.318138 B\n0.000000 0.000000 0.933848 Br\n0.500000 0.500000 0.433848 Br\n0.000000 0.500000 0.782625 Br\n0.500000 0.000000 0.282625 Br\n0.500000 0.000000 0.782625 Br\n0.000000 0.500000 0.282625 Br\n0.752502 0.247498 0.937092 O\n0.247498 0.752502 0.937092 O\n0.747498 0.747498 0.437092 O\n0.252502 0.252502 0.437092 O\n0.116600 0.256390 0.685643 O\n0.883400 0.743610 0.685643 O\n0.383400 0.756390 0.185643 O\n0.616600 0.243610 0.185643 O\n0.743610 0.883400 0.685643 O\n0.256390 0.116600 0.685643 O\n0.756390 0.383400 0.185643 O\n0.243610 0.616600 0.185643 O\n0.064028 0.200947 0.368144 O\n0.935972 0.799053 0.368144 O\n0.435972 0.700947 0.868144 O\n0.564028 0.299053 0.868144 O\n0.799053 0.935972 0.368144 O\n0.200947 0.064028 0.368144 O\n0.700947 0.435972 0.868144 O\n0.299053 0.564028 0.868144 O\n0.699217 0.300783 0.614980 O\n0.300783 0.699217 0.614980 O\n0.800783 0.800783 0.114980 O\n0.199217 0.199217 0.114980 O\n0.803458 0.196542 0.252145 O\n0.196542 0.803458 0.252145 O\n0.696542 0.696542 0.752145 O\n0.303458 0.303458 0.752145 O\n0.932794 0.237667 0.616814 O\n0.067206 0.762333 0.616814 O\n0.567206 0.737667 0.116814 O\n0.432794 0.262333 0.116814 O\n0.762333 0.067206 0.616814 O\n0.237667 0.932794 0.616814 O\n0.737667 0.567206 0.116814 O\n0.262333 0.432794 0.116814 O\n",
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{
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{
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