(Ti6CO13)2  (Pm) ~ (COD                 
           1
     6.564190    0.000000    0.000000
     0.000000    5.948460    0.000000
     0.000000    0.000000   23.128380
   Ti   O    C 
    12    26     2
Direct configuration=     1
   0.50000000  0.00000000  0.37347217
   0.50000000  0.00000000  0.64418579
   0.50000000  0.75000000  0.50882898
   0.50000000  0.25000000  0.50882898
   0.00000000  0.00000000  0.50882898
   0.00000000  0.75000000  0.35991370
   0.00000000  0.25000000  0.35991370
   0.00000000  0.75000000  0.65774426
   0.00000000  0.25000000  0.65774426
   0.50000000  0.50000000  0.37347217
   0.50000000  0.50000000  0.64418579
   0.00000000  0.50000000  0.50882898
   0.50000000  0.00000000  0.45351708
   0.80511311  0.75000000  0.50882898
   0.80511311  0.25000000  0.50882898
   0.19488689  0.75000000  0.50882898
   0.19488689  0.25000000  0.50882898
   0.50000000  0.00000000  0.56414088
   0.00000000  0.00000000  0.31177427
   0.00000000  0.00000000  0.59358603
   0.31616954  0.75000000  0.35839365
   0.31616954  0.25000000  0.35839365
   0.68383046  0.75000000  0.35839365
   0.68383046  0.25000000  0.35839365
   0.31616954  0.75000000  0.65926431
   0.31616954  0.25000000  0.65926431
   0.68383046  0.75000000  0.65926431
   0.68383046  0.25000000  0.65926431
   0.00000000  0.00000000  0.42407193
   0.00000000  0.00000000  0.70588369
   0.50000000  0.50000000  0.45351708
   0.50000000  0.50000000  0.56414088
   0.00000000  0.50000000  0.31177427
   0.00000000  0.50000000  0.59358603
   0.00000000  0.50000000  0.42407193
   0.00000000  0.50000000  0.70588369
   0.48348985  0.50000000  0.22135036
   0.49984813  0.50000000  0.79637975
   0.48968314  0.50000000  0.27753087
   0.50000006  0.50000000  0.74017176