 O Ti Ba
   1.0
     3.9631868600000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000    5.6857539900000003    0.0000000000000000
     0.0000000000000000    0.0000000000000000    5.7080990299999996
 O Ti Ba
   6   2   2
Direct
   0.5000000000000000  0.2449636900000000  0.7356241900000000
   0.5000000000000000  0.7550363099999999  0.7356241900000000
   0.0000000000000000  0.0000000000000000  0.4879315000000000
   0.5000000000000000  0.7449636900000001  0.2356241900000000
   0.5000000000000000  0.2550363100000000  0.2356241900000000
   0.0000000000000000  0.5000000000000000  0.9879315000000000
   0.5000000000000000  0.0000000000000000  0.5172616900000000
   0.5000000000000000  0.5000000000000000  0.0172616900000000
   0.0000000000000000  0.0000000000000000  0.0034584100000000
   0.0000000000000000  0.5000000000000000  0.5034584100000000