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"structure_string": "Ba4 Ti1 Te1\n1.0\n0.000000 5.035246 5.035246\n5.035246 -0.000000 5.035246\n5.035246 5.035246 0.000000\nBa Ti Te\n4 1 1\ndirect\n0.125921 0.624694 0.624694 Ba\n0.624694 0.624694 0.624694 Ba\n0.624694 0.125921 0.624694 Ba\n0.624694 0.624694 0.125921 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Te\n",
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"structure_string": "Ba4 Ti1 Si1\n1.0\n0.000000 4.920265 4.920265\n4.920265 -0.000000 4.920265\n4.920265 4.920265 0.000000\nBa Ti Si\n4 1 1\ndirect\n0.127390 0.624203 0.624203 Ba\n0.624203 0.624203 0.624203 Ba\n0.624203 0.127390 0.624203 Ba\n0.624203 0.624203 0.127390 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Si\n",
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"structure_string": "Ba4 Ti1 Sb1\n1.0\n0.000000 4.983272 4.983272\n4.983272 0.000000 4.983272\n4.983272 4.983272 0.000000\nBa Ti Sb\n4 1 1\ndirect\n0.127035 0.624321 0.624321 Ba\n0.624321 0.624321 0.624321 Ba\n0.624321 0.127035 0.624321 Ba\n0.624321 0.624321 0.127035 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Sb\n",
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{
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