 O Cu Ba
   1.0
     5.6710426600000003    0.0000000000000000    0.0000000000000000
     0.0000000000000000    5.6710426600000003    0.0000000000000000
     0.0000000000000000    0.0000000000000000   10.0388974900000001
 O Cu Ba
   8   8   4
Direct
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