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"structure_string": "P3 O1\n1.0\n2.937692 0.000000 -0.940686\n0.216155 3.772000 0.675036\n0.296317 0.780454 5.982815\nP O\n3 1\ndirect\n0.643229 0.030473 0.286456 P\n0.094909 0.434809 0.189815 P\n0.876070 0.659690 0.752139 P\n0.385797 0.875025 0.771592 O\n",
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"structure_string": "Ba1 I1 F2\n1.0\n3.758406 0.000000 0.000000\n0.000000 3.758406 0.000000\n0.000000 0.000000 6.986504\nBa I F\n1 1 2\ndirect\n0.500000 0.500000 0.486366 Ba\n0.000000 0.000000 0.922547 I\n0.000000 0.000000 0.450113 F\n0.500000 0.500000 0.150972 F\n",
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"structure_string": "Ba1 Zn1 F2\n1.0\n3.875092 0.000000 0.000000\n0.000000 3.875092 0.000000\n0.000000 -0.000000 5.293388\nBa Zn F\n1 1 2\ndirect\n0.500000 0.500000 0.556535 Ba\n0.000000 0.000000 0.979048 Zn\n0.000000 0.000000 0.395440 F\n0.500000 0.500000 0.078977 F\n",
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