TiO2 Anastase
1.0
        3.9359104633         0.0000000000         0.0000000000
        0.0000000000         3.9359104633         0.0000000000
        0.0000000000         0.0000000000         9.7993459702
   Ti    O
    4    8
Direct
     0.000000000         0.000000000         0.000000000
     0.500000000         0.500000000         0.500000000
     0.000000000         0.500000000         0.250048637
     0.500000000         0.000000000         0.749951363
     0.000000000         0.000000000         0.207650095
     0.500000000         0.500000000         0.707616866
     0.000000000         0.500000000         0.457706749
     0.500000000         0.000000000         0.957558751
     0.500000000         0.000000000         0.542293251
     0.000000000         0.500000000         0.042441271
     0.500000000         0.500000000         0.292383134
     0.000000000         0.000000000         0.792349935