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{
"id": "mp-556714",
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"structure_string": "Ba4 Cu24 Ge8 S32\n1.0\n6.137769 0.000000 0.000000\n0.000000 12.059742 0.000000\n0.000000 0.000000 17.656068\nBa Cu Ge S\n4 24 8 32\ndirect\n0.926939 0.773741 0.250000 Ba\n0.073061 0.273741 0.250000 Ba\n0.926939 0.726259 0.750000 Ba\n0.073061 0.226259 0.750000 Ba\n0.497945 0.294774 0.374763 Cu\n0.441237 0.593618 0.452782 Cu\n0.497945 0.205226 0.874763 Cu\n0.951352 0.505595 0.371562 Cu\n0.497945 0.294774 0.125237 Cu\n0.558763 0.406382 0.952782 Cu\n0.951352 0.994405 0.871562 Cu\n0.048648 0.494405 0.871562 Cu\n0.441237 0.906382 0.952782 Cu\n0.502055 0.705226 0.625237 Cu\n0.558763 0.093618 0.452782 Cu\n0.558763 0.406382 0.547218 Cu\n0.048648 0.005595 0.128438 Cu\n0.441237 0.593618 0.047218 Cu\n0.502055 0.705226 0.874763 Cu\n0.441237 0.906382 0.547218 Cu\n0.048648 0.494405 0.628438 Cu\n0.951352 0.994405 0.628438 Cu\n0.951352 0.505595 0.128438 Cu\n0.502055 0.794774 0.374763 Cu\n0.502055 0.794774 0.125237 Cu\n0.048648 0.005595 0.371562 Cu\n0.497945 0.205226 0.625237 Cu\n0.558763 0.093618 0.047218 Cu\n0.541493 0.456624 0.750000 Ge\n0.541493 0.043376 0.250000 Ge\n0.458507 0.956624 0.750000 Ge\n0.989596 0.750000 0.500000 Ge\n0.458507 0.543376 0.250000 Ge\n0.989596 0.750000 0.000000 Ge\n0.010404 0.250000 0.500000 Ge\n0.010404 0.250000 0.000000 Ge\n0.223784 0.871717 0.055047 S\n0.776216 0.371717 0.444953 S\n0.230647 0.333586 0.914987 S\n0.814492 0.506354 0.250000 S\n0.230647 0.333586 0.585013 S\n0.684308 0.527156 0.859792 S\n0.230647 0.166414 0.414987 S\n0.814492 0.993646 0.750000 S\n0.185508 0.006354 0.250000 S\n0.684308 0.972844 0.140208 S\n0.776216 0.128283 0.555047 S\n0.581610 0.229445 0.250000 S\n0.684308 0.972844 0.359792 S\n0.223784 0.871717 0.444953 S\n0.581610 0.270555 0.750000 S\n0.315692 0.027156 0.859792 S\n0.223784 0.628283 0.944953 S\n0.769353 0.666414 0.085013 S\n0.418390 0.729445 0.250000 S\n0.769353 0.833586 0.585013 S\n0.185508 0.493646 0.750000 S\n0.418390 0.770555 0.750000 S\n0.769353 0.833586 0.914987 S\n0.776216 0.128283 0.944953 S\n0.223784 0.628283 0.555047 S\n0.776216 0.371717 0.055047 S\n0.315692 0.472844 0.140208 S\n0.315692 0.027156 0.640208 S\n0.315692 0.472844 0.359792 S\n0.684308 0.527156 0.640208 S\n0.230647 0.166414 0.085013 S\n0.769353 0.666414 0.414987 S\n",
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{
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{
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{
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{
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"structure_string": "Ca12 Ga8 Si4 Sn8 O48\n1.0\n-6.342566 6.342566 6.246548\n6.342566 -6.342566 6.246548\n6.342566 6.342566 -6.246548\nCa Ga Si Sn O\n12 8 4 8 48\ndirect\n0.750000 0.750000 0.000000 Ca\n0.875000 0.249558 0.874558 Ca\n0.499558 0.125000 0.874558 Ca\n0.250000 0.250000 0.000000 Ca\n0.875000 0.749558 0.374558 Ca\n0.250442 0.625000 0.125442 Ca\n0.999558 0.125000 0.374558 Ca\n0.000000 0.500000 0.500000 Ca\n0.375000 0.000442 0.125442 Ca\n0.750442 0.625000 0.625442 Ca\n0.375000 0.500442 0.625442 Ca\n0.500000 0.000000 0.500000 Ca\n0.000662 0.625000 0.875662 Ga\n0.375000 0.750662 0.875662 Ga\n0.875000 0.499338 0.124338 Ga\n0.749338 0.125000 0.124338 Ga\n0.500662 0.625000 0.375662 Ga\n0.375000 0.250662 0.375662 Ga\n0.875000 0.999338 0.624338 Ga\n0.249338 0.125000 0.624338 Ga\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.250000 0.750000 0.500000 Si\n0.750000 0.250000 0.500000 Si\n0.125000 0.375000 0.750000 Sn\n0.625000 0.875000 0.250000 Sn\n0.125000 0.875000 0.750000 Sn\n0.625000 0.375000 0.250000 Sn\n0.125000 0.375000 0.250000 Sn\n0.125000 0.875000 0.250000 Sn\n0.625000 0.875000 0.750000 Sn\n0.625000 0.375000 0.750000 Sn\n0.825984 0.871121 0.861709 O\n0.029487 0.194463 0.777899 O\n0.046401 0.474668 0.874994 O\n0.805537 0.583436 0.835024 O\n0.529487 0.751588 0.835024 O\n0.535725 0.490588 0.861709 O\n0.724668 0.349674 0.928268 O\n0.916564 0.694463 0.164976 O\n0.025332 0.453599 0.125006 O\n0.035725 0.174016 0.045137 O\n0.421406 0.796401 0.071732 O\n0.248412 0.083436 0.777899 O\n0.703599 0.078594 0.928268 O\n0.325984 0.464275 0.954863 O\n0.628879 0.674016 0.138291 O\n0.509412 0.371121 0.045137 O\n0.150326 0.775332 0.071732 O\n0.328594 0.900326 0.874994 O\n0.009412 0.964275 0.138291 O\n0.833436 0.498412 0.277899 O\n0.944463 0.279487 0.277899 O\n0.599674 0.171406 0.125006 O\n0.501588 0.779487 0.335024 O\n0.128879 0.990588 0.954863 O\n0.121121 0.759412 0.545137 O\n0.748412 0.970513 0.164976 O\n0.650326 0.578594 0.374994 O\n0.305537 0.470513 0.222101 O\n0.416564 0.251588 0.222101 O\n0.240588 0.785725 0.361709 O\n0.921406 0.849674 0.625006 O\n0.099674 0.974668 0.428268 O\n0.740588 0.378879 0.454863 O\n0.621121 0.075984 0.361709 O\n0.924016 0.285725 0.545137 O\n0.546401 0.671406 0.571732 O\n0.001588 0.666564 0.722101 O\n0.828594 0.953599 0.428268 O\n0.224668 0.296401 0.374994 O\n0.214275 0.575984 0.454863 O\n0.333436 0.055537 0.335024 O\n0.525332 0.400326 0.571732 O\n0.714275 0.259412 0.638291 O\n0.720513 0.998412 0.664976 O\n0.444463 0.166564 0.664976 O\n0.203599 0.275332 0.625006 O\n0.220513 0.555537 0.722101 O\n0.424016 0.878879 0.638291 O\n",
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{
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