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{
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{
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{
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{
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"structure_string": "Cs4 Re4 O16\n1.0\n5.964305 0.000000 0.000000\n0.000000 6.162534 0.000000\n0.000000 0.000000 14.665722\nCs Re O\n4 4 16\ndirect\n0.477196 0.250000 0.628127 Cs\n0.977196 0.250000 0.871873 Cs\n0.522804 0.750000 0.371873 Cs\n0.022804 0.750000 0.128127 Cs\n0.466029 0.750000 0.880830 Re\n0.966029 0.750000 0.619170 Re\n0.533971 0.250000 0.119170 Re\n0.033971 0.250000 0.380830 Re\n0.517174 0.517164 0.815040 O\n0.017174 0.982836 0.684960 O\n0.482826 0.017164 0.184960 O\n0.982826 0.482836 0.315040 O\n0.482826 0.482836 0.184960 O\n0.982826 0.017164 0.315040 O\n0.517174 0.982836 0.815040 O\n0.017174 0.517164 0.684960 O\n0.814936 0.250000 0.082449 O\n0.314936 0.250000 0.417551 O\n0.185064 0.750000 0.917551 O\n0.685064 0.750000 0.582449 O\n0.854209 0.250000 0.475418 O\n0.354209 0.250000 0.024582 O\n0.145791 0.750000 0.524582 O\n0.645791 0.750000 0.975418 O\n",
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{
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"formula_full": "Ti4 Mn4 H48 O24 F24",
"formula_reduced": "TiMnH12(OF)6",
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},
{
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"structure_string": "Cu8 Si2 P16\n1.0\n-6.106253 6.106253 2.865825\n6.106253 -6.106253 2.865825\n6.106253 6.106253 -2.865825\nCu Si P\n8 2 16\ndirect\n0.364821 0.577280 0.809138 Cu\n0.805683 0.114821 0.287541 Cu\n0.827280 0.518142 0.712459 Cu\n0.768142 0.555683 0.190862 Cu\n0.885179 0.172720 0.690862 Cu\n0.444317 0.635179 0.212459 Cu\n0.422720 0.231858 0.787541 Cu\n0.481858 0.194317 0.309138 Cu\n0.250000 0.750000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.360852 0.157538 0.027703 P\n0.407538 0.879835 0.296686 P\n0.666851 0.639148 0.796686 P\n0.120165 0.416851 0.527703 P\n0.889148 0.592462 0.472297 P\n0.842462 0.870165 0.203314 P\n0.583149 0.110852 0.703314 P\n0.129835 0.333149 0.972297 P\n0.074658 0.955901 0.574103 P\n0.750555 0.824658 0.618757 P\n0.205901 0.131798 0.381243 P\n0.381798 0.500555 0.425897 P\n0.175342 0.794099 0.925897 P\n0.499445 0.925342 0.881243 P\n0.044099 0.618202 0.118757 P\n0.868202 0.249445 0.074103 P\n",
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}