 O Ca Ti
   1.0
    19.2681334200000016    0.0000000000000000    0.0000000000000000
     0.0000000000000000    5.3864556099999996    0.0000000000000000
     0.0000000000000000    0.0000000000000000    5.4503704300000004
 O Ca Ti
  28  12   8
Direct
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