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"structure_string": "Ca1 B2 H2\n1.0\n1.736838 -3.008291 -0.000000\n1.736838 3.008291 -0.000000\n-0.000000 0.000000 3.989661\nCa B H\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333334 0.461561 B\n0.333334 0.666667 0.538439 B\n0.666667 0.333334 0.152237 H\n0.333334 0.666667 0.847763 H\n",
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"structure_string": "Sm2 B4 Os4\n1.0\n-3.342101 4.545078 0.000000\n-3.342101 -4.545078 0.000000\n3.342101 0.000000 4.970034\nSm B Os\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250001 0.750001 0.500001 Sm\n0.687774 0.312225 0.000000 B\n0.312225 0.687774 0.000000 B\n0.937778 0.062224 0.500001 B\n0.562224 0.437778 0.500001 B\n0.611721 0.111721 0.223442 Os\n0.638277 0.638277 0.276557 Os\n0.361721 0.361721 0.723443 Os\n0.888280 0.388279 0.776557 Os\n",
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"structure_string": "Sr1 Mn2 P2\n1.0\n1.922656 -3.330138 0.000000\n1.922656 3.330138 -0.000000\n0.000000 -0.000000 7.114373\nSr Mn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666668 0.333334 0.611896 Mn\n0.333334 0.666668 0.388103 Mn\n0.666668 0.333334 0.293041 P\n0.333334 0.666668 0.706959 P\n",
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{
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"structure_string": "Er2 S1 O2\n1.0\n1.875691 -3.248792 0.000000\n1.875691 3.248792 -0.000000\n-0.000000 0.000000 6.540033\nEr S O\n2 1 2\ndirect\n0.666667 0.333333 0.717449 Er\n0.333333 0.666667 0.282551 Er\n0.000000 0.000000 0.000000 S\n0.666667 0.333333 0.370520 O\n0.333333 0.666667 0.629480 O\n",
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