 O P Ti Rb
   1.0
     8.3550959000000002    0.0000000000000000    0.0000000000000000
    -4.1775479500000001    7.2357252900000004    0.0000000000000000
     0.0000000000000000    0.0000000000000000   23.6658708699999991
 O P Ti Rb
  72  18  12   6
Direct
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