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"structure_string": "Mo6 O16\n1.0\n2.966248 -5.137693 -0.000000\n2.966248 5.137693 -0.000000\n0.000000 0.000000 9.225810\nMo O\n6 16\ndirect\n0.833063 0.666128 0.250466 Mo\n0.666128 0.833063 0.750466 Mo\n0.833063 0.166937 0.250466 Mo\n0.166937 0.833063 0.750466 Mo\n0.166937 0.333873 0.750466 Mo\n0.333873 0.166937 0.250466 Mo\n0.485215 0.970431 0.861529 O\n0.666667 0.333333 0.129981 O\n0.000000 0.000000 0.870065 O\n0.000000 0.000000 0.370065 O\n0.485215 0.514785 0.861529 O\n0.514785 0.485215 0.361529 O\n0.514785 0.029569 0.361529 O\n0.151752 0.303501 0.139705 O\n0.303501 0.151752 0.639705 O\n0.970431 0.485215 0.361529 O\n0.151752 0.848248 0.139705 O\n0.848248 0.151752 0.639705 O\n0.848249 0.696499 0.639705 O\n0.696499 0.848249 0.139705 O\n0.029569 0.514785 0.861529 O\n0.333333 0.666667 0.629981 O\n",
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{
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"structure_string": "Ti1 Al1 Ni2\n1.0\n3.607787 0.000000 2.082956\n1.202596 3.401454 2.082956\n0.000000 -0.000000 4.165913\nTi Al Ni\n1 1 2\ndirect\n0.500001 0.499999 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.250001 0.250000 0.250000 Ni\n0.750002 0.749999 0.750000 Ni\n",
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{
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"structure_string": "Tl4 P4 H8 O16\n1.0\n14.002568 0.000000 -0.574493\n0.000000 4.511307 0.000000\n-0.067145 0.000000 6.476943\nTl P H O\n4 4 8 16\ndirect\n0.625634 0.520643 0.265722 Tl\n0.874366 0.020642 0.734278 Tl\n0.374365 0.479358 0.734278 Tl\n0.125634 0.979358 0.265722 Tl\n0.875986 0.483798 0.235990 P\n0.624014 0.983798 0.764010 P\n0.124014 0.516203 0.764010 P\n0.375985 0.016202 0.235990 P\n0.187506 0.980189 0.763822 H\n0.687506 0.519812 0.763823 H\n0.812493 0.019812 0.236178 H\n0.312493 0.480188 0.236177 H\n-0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.680412 0.229305 0.662439 O\n0.819588 0.729306 0.337561 O\n0.304889 0.272820 0.162711 O\n0.195111 0.772820 0.837289 O\n0.695111 0.727181 0.837289 O\n0.804889 0.227181 0.162711 O\n0.452674 0.160320 0.386121 O\n0.547326 0.839680 0.613879 O\n0.952674 0.339680 0.386121 O\n0.423984 0.896237 0.041741 O\n0.076016 0.396236 0.958258 O\n0.576016 0.103764 0.958259 O\n0.923984 0.603764 0.041742 O\n0.180412 0.270695 0.662439 O\n0.047326 0.660321 0.613879 O\n0.319588 0.770696 0.337561 O\n",
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