Anatase 1 5.419 0 0 2.82969839750231643578 4.62151143882310675002 0 -4.12434919875115821789 -2.31075571941155337501 2.6487190662596653754 Ti O 2 4 Direct 0.75000 0.25000 0.5 0.00000 0.00000 0.0 0.95822 0.45822 0.5 0.79178 0.79178 0.0 0.54178 0.04178 0.5 0.20822 0.20822 0.0