CaF2 5.463 1 0 0 0 1 0 0 0 1 Ca F 4 8 Direct 0.000000000 0.000000000 0.000000000 0.000000000 0.500000000 0.500000000 0.500000000 0.000000000 0.500000000 0.500000000 0.500000000 0.000000000 0.250000000 0.250000000 0.250000000 0.750000000 0.750000000 0.750000000 0.750000000 0.750000000 0.250000000 0.250000000 0.250000000 0.750000000 0.750000000 0.250000000 0.750000000 0.250000000 0.750000000 0.250000000 0.250000000 0.750000000 0.750000000 0.750000000 0.250000000 0.250000000