(Ti6CO13)2  (Pm) ~ (COD #9007432)_1 (1 1
   1.00000000000000     
     6.5641900000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000    5.9484599999999999    0.0000000000000000
     0.0000000000000000    0.0000000000000000   23.1283799999999999
   Ti   O    C 
    12    26     2
Direct
  0.5000000000000000  0.0000000000000000  0.3734721699999994
  0.5000000000000000  0.0000000000000000  0.6441857900000016
  0.5000000000000000  0.7500000000000000  0.5088289799999970
  0.5000000000000000  0.2500000000000000  0.5088289799999970
  0.0000000000000000  0.0000000000000000  0.5088289799999970
  0.0000000000000000  0.7500000000000000  0.3599136999999999
  0.0000000000000000  0.2500000000000000  0.3599136999999999
  0.0000000000000000  0.7500000000000000  0.6577442600000012
  0.0000000000000000  0.2500000000000000  0.6577442600000012
  0.5000000000000000  0.5000000000000000  0.3734721699999994
  0.5000000000000000  0.5000000000000000  0.6441857900000016
  0.0000000000000000  0.5000000000000000  0.5088289799999970
  0.5000000000000000  0.0000000000000000  0.4535170799999975
  0.8051131100000006  0.7500000000000000  0.5088289799999970
  0.8051131100000006  0.2500000000000000  0.5088289799999970
  0.1948868899999994  0.7500000000000000  0.5088289799999970
  0.1948868899999994  0.2500000000000000  0.5088289799999970
  0.5000000000000000  0.0000000000000000  0.5641408799999965
  0.0000000000000000  0.0000000000000000  0.3117742700000008
  0.0000000000000000  0.0000000000000000  0.5935860299999973
  0.3161695399999971  0.7500000000000000  0.3583936499999965
  0.3161695399999971  0.2500000000000000  0.3583936499999965
  0.6838304600000029  0.7500000000000000  0.3583936499999965
  0.6838304600000029  0.2500000000000000  0.3583936499999965
  0.3161695399999971  0.7500000000000000  0.6592643099999975
  0.3161695399999971  0.2500000000000000  0.6592643099999975
  0.6838304600000029  0.7500000000000000  0.6592643099999975
  0.6838304600000029  0.2500000000000000  0.6592643099999975
  0.0000000000000000  0.0000000000000000  0.4240719299999967
  0.0000000000000000  0.0000000000000000  0.7058836900000003
  0.5000000000000000  0.5000000000000000  0.4535170799999975
  0.5000000000000000  0.5000000000000000  0.5641408799999965
  0.0000000000000000  0.5000000000000000  0.3117742700000008
  0.0000000000000000  0.5000000000000000  0.5935860299999973
  0.0000000000000000  0.5000000000000000  0.4240719299999967
  0.0000000000000000  0.5000000000000000  0.7058836900000003
  0.4834898499999980  0.5000000000000000  0.2213503600000024
  0.4998481299999966  0.5000000000000000  0.7963797499999998
  0.4896831399999968  0.5000000000000000  0.2775308699999997
  0.5000000599999979  0.5000000000000000  0.7401717600000026
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00