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"structure_string": "Ca4 H2\n1.0\n3.658987 2.112517 5.975100\n-3.658987 2.112517 5.975100\n0.000000 -4.225034 5.975100\nCa H\n4 2\ndirect\n0.125000 0.125000 0.125000 Ca\n0.624999 0.125000 0.125000 Ca\n0.125000 0.624999 0.125000 Ca\n0.125000 0.125000 0.624999 Ca\n0.000000 0.000000 0.000000 H\n0.250000 0.250000 0.250000 H\n",
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"structure_string": "Rb4 Te2\n1.0\n5.646845 3.260208 9.221259\n-5.646845 3.260208 9.221259\n0.000000 -6.520415 9.221259\nRb Te\n4 2\ndirect\n0.625000 0.625000 0.125001 Rb\n0.625000 0.125001 0.625000 Rb\n0.125001 0.625000 0.625000 Rb\n0.625000 0.625000 0.625000 Rb\n0.500000 0.500000 0.500000 Te\n0.750000 0.750000 0.750000 Te\n",
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"structure_string": "K3 Na1\n1.0\n-3.132406 3.132406 6.087409\n3.132406 -3.132406 6.087409\n3.132406 3.132406 -6.087409\nK Na\n3 1\ndirect\n0.500000 0.500000 0.000000 K\n0.750001 0.250000 0.500001 K\n0.250000 0.750001 0.500001 K\n0.000000 0.000000 0.000000 Na\n",
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"structure_string": "B2 H12 N2\n1.0\n4.323961 0.000000 0.019572\n0.000000 5.371956 0.000000\n0.169006 0.000000 4.524850\nB H N\n2 12 2\ndirect\n0.153331 0.119951 0.159194 B\n0.846670 0.619951 0.840808 B\n0.774824 0.632258 0.103441 H\n0.871986 0.129556 0.192396 H\n0.220351 0.517240 0.220237 H\n0.255593 0.930317 0.266585 H\n0.533518 0.356622 0.294540 H\n0.766565 0.866418 0.462081 H\n0.233436 0.366418 0.537916 H\n0.466483 0.856621 0.705460 H\n0.744407 0.430318 0.733417 H\n0.779650 0.017241 0.779765 H\n0.128015 0.629557 0.807603 H\n0.225175 0.132257 0.896556 H\n0.295414 0.354336 0.315847 N\n0.704586 0.854337 0.684153 N\n",
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