          29
TiO_2   (Anatase) & I4_1/amd -- D_{4h}^{19} (#141) & tI6 & C5 & Horn et al., Z.
Ti     0.00000000     0.94605000     8.32527500
O      0.00000000     0.94605000     6.34528674
Ti     0.00000000    -0.94605000     1.18932500
Ti     1.89210000    -0.94605000     3.56797500
O      0.00000000    -0.94605000     3.16931326
O      1.89210000    -0.94605000     1.58798674
Ti     1.89210000     0.94605000     5.94662500
Ti     3.78420000     0.94605000     8.32527500
O      1.89210000    -0.94605000     5.54796326
O      1.89210000     0.94605000     7.92661326
O      3.78420000     0.94605000     6.34528674
Ti     0.00000000     0.94605000    -1.18932500
O      0.00000000    -0.94605000    -0.79066326
Ti     0.00000000     2.83815000     1.18932500
Ti     1.89210000     2.83815000     3.56797500
O      0.00000000     0.94605000     0.79066326
O      0.00000000     2.83815000     3.16931326
O      1.89210000     0.94605000     3.96663674
O      1.89210000     2.83815000     1.58798674
O      1.89210000     2.83815000     5.54796326
O      0.00000000     2.83815000    -0.79066326
Ti     3.78420000    -0.94605000     1.18932500
O      3.78420000    -0.94605000     3.16931326
Ti     3.78420000     0.94605000    -1.18932500
O      3.78420000    -0.94605000    -0.79066326
Ti     3.78420000     2.83815000     1.18932500
O      3.78420000     0.94605000     0.79066326
O      3.78420000     2.83815000     3.16931326
O      3.78420000     2.83815000    -0.79066326
