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"structure_string": "Sm2 H6 O6\n1.0\n3.188492 -5.522630 0.000000\n3.188492 5.522630 -0.000000\n-0.000000 0.000000 3.662681\nSm H O\n2 6 6\ndirect\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n0.863348 0.136381 0.750000 H\n0.863618 0.726966 0.750000 H\n0.273033 0.136652 0.750000 H\n0.136651 0.863619 0.250000 H\n0.136381 0.273033 0.250000 H\n0.726966 0.863348 0.250000 H\n0.917683 0.309247 0.750000 O\n0.690752 0.608436 0.750000 O\n0.391563 0.082316 0.750000 O\n0.082316 0.690752 0.250000 O\n0.309247 0.391563 0.250000 O\n0.608436 0.917683 0.250000 O\n",
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"structure_string": "Ti4 Zn2 O8\n1.0\n5.922489 0.006342 0.010893\n-2.955703 -5.193095 -0.010470\n-2.953946 1.563191 -4.953251\nTi Zn O\n4 2 8\ndirect\n-0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n-0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.026782 0.253988 0.746008 O\n0.004135 0.247304 0.260967 O\n0.473216 0.253989 0.746012 O\n0.504114 0.260947 0.247286 O\n0.526784 0.746011 0.253988 O\n0.995865 0.752696 0.739033 O\n0.495886 0.739053 0.752714 O\n0.973218 0.746012 0.253993 O\n",
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"structure_string": "Ca2 Ti4 O8\n1.0\n3.067881 0.000000 0.000000\n-1.533941 4.897937 0.000000\n0.000000 0.000000 10.117342\nCa Ti O\n2 4 8\ndirect\n0.379699 0.759399 0.750000 Ca\n0.620301 0.240602 0.250000 Ca\n0.875616 0.751233 0.064999 Ti\n0.124384 0.248768 0.935001 Ti\n0.875616 0.751233 0.435001 Ti\n0.124384 0.248768 0.564999 Ti\n0.232513 0.465027 0.392850 O\n0.767487 0.534974 0.607149 O\n0.767487 0.534974 0.892850 O\n0.232513 0.465027 0.107150 O\n0.939089 0.878180 0.250000 O\n0.060911 0.121821 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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