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"structure_string": "Ca1 Ni2 As1\n1.0\n0.000000 3.171813 3.171813\n3.171813 0.000000 3.171813\n3.171813 3.171813 -0.000000\nCa Ni As\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Ca\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Ni\n0.499999 0.499999 0.499999 As\n",
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{
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"structure_string": "Mg1 Sb1 Pd1\n1.0\n3.884361 0.000000 2.242637\n1.294787 3.662211 2.242637\n-0.000000 -0.000000 4.485274\nMg Sb Pd\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pd\n",
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{
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{
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