TiO2.at
136
4.593700 4.593700 2.951800 90.000000 90.000000 90.000000
2.0
0 0 1
16 1
2 2
1 O 0.305000 0.305000 0.000000 0.500000 1.000000
2 Ti 0.000000 0.000000 0.000000 0.500000 1.000000
200cx 1.200000 50.000000 0.500000
200.000000
0.000000 0.000000
100.000000
NO
-600.000000
0.700000
 0.000000 0.000000 0.000000 0.000000
x,y,z
-x,-y,z
-y+1/2,x+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
y,x,-z
-y,-x,-z
-x,-y,-z
x,y,-z
y+1/2,-x+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,z+1/2
-y,-x,z
y,x,z
1
0.00