94 CTi_2 & Fd(-3)m & #227 & O_h^7 & cF48 Ti 6.49300000 -0.04300000 -0.04300000 Ti 8.64300000 2.10700000 0.04300000 Ti 4.25700000 2.19300000 -0.04300000 Ti 8.55700000 6.49300000 -0.04300000 C 2.15000000 0.00000000 2.15000000 Ti 0.04300000 2.10700000 0.04300000 Ti 2.19300000 4.25700000 -0.04300000 C 6.45000000 4.30000000 2.15000000 Ti 8.64300000 0.04300000 2.10700000 Ti 4.34300000 6.40700000 0.04300000 Ti 8.55700000 2.19300000 4.25700000 Ti 6.49300000 8.55700000 -0.04300000 Ti 2.19300000 -0.04300000 4.25700000 C 6.45000000 0.00000000 6.45000000 C 8.60000000 2.15000000 2.15000000 Ti 4.34300000 2.10700000 4.34300000 Ti 6.49300000 4.25700000 4.25700000 C 8.60000000 0.00000000 0.00000000 Ti 8.64300000 6.40700000 4.34300000 Ti 6.49300000 -0.04300000 8.55700000 Ti 8.64300000 2.10700000 8.64300000 Ti -0.04300000 6.49300000 -0.04300000 C 2.15000000 2.15000000 0.00000000 Ti 0.04300000 0.04300000 2.10700000 Ti -0.04300000 2.19300000 4.25700000 C 6.45000000 6.45000000 0.00000000 C 2.15000000 8.60000000 2.15000000 Ti 4.34300000 4.34300000 2.10700000 Ti 4.25700000 6.49300000 4.25700000 Ti 8.64300000 8.64300000 2.10700000 C 0.00000000 2.15000000 2.15000000 Ti 2.10700000 0.04300000 0.04300000 Ti 4.25700000 -0.04300000 2.19300000 C 0.00000000 0.00000000 0.00000000 C 6.45000000 2.15000000 4.30000000 C 2.15000000 4.30000000 6.45000000 C 4.30000000 6.45000000 2.15000000 Ti 2.10700000 2.10700000 2.10700000 Ti 4.34300000 0.04300000 6.40700000 Ti 0.04300000 6.40700000 4.34300000 Ti 6.40700000 4.34300000 0.04300000 Ti 8.55700000 4.25700000 2.19300000 Ti 4.25700000 2.19300000 8.55700000 Ti 2.19300000 8.55700000 4.25700000 C 4.30000000 4.30000000 0.00000000 C 6.45000000 8.60000000 6.45000000 Ti 6.40700000 6.40700000 2.10700000 Ti 8.64300000 4.34300000 6.40700000 Ti 8.55700000 6.49300000 8.55700000 C 8.60000000 8.60000000 0.00000000 C 4.30000000 2.15000000 6.45000000 Ti 0.04300000 2.10700000 8.64300000 Ti 6.40700000 0.04300000 4.34300000 Ti 8.55700000 -0.04300000 6.49300000 Ti 2.19300000 4.25700000 8.55700000 C 4.30000000 0.00000000 4.30000000 C 8.60000000 6.45000000 6.45000000 Ti 6.40700000 2.10700000 6.40700000 Ti 4.34300000 6.40700000 8.64300000 Ti 6.49300000 8.55700000 8.55700000 C 8.60000000 4.30000000 4.30000000 Ti 6.49300000 2.19300000 2.19300000 C 8.60000000 0.00000000 8.60000000 Ti 0.04300000 8.64300000 2.10700000 Ti -0.04300000 4.25700000 2.19300000 C 2.15000000 6.45000000 4.30000000 Ti 0.04300000 4.34300000 6.40700000 Ti 2.10700000 8.64300000 0.04300000 Ti 4.25700000 8.55700000 2.19300000 Ti -0.04300000 6.49300000 8.55700000 C 0.00000000 8.60000000 0.00000000 Ti 4.34300000 8.64300000 6.40700000 Ti -0.04300000 -0.04300000 6.49300000 C 2.15000000 2.15000000 8.60000000 C 0.00000000 6.45000000 6.45000000 Ti 2.10700000 4.34300000 4.34300000 Ti 4.25700000 4.25700000 6.49300000 C 0.00000000 4.30000000 4.30000000 C 6.45000000 6.45000000 8.60000000 Ti 2.10700000 6.40700000 6.40700000 Ti 6.40700000 8.64300000 4.34300000 Ti 8.55700000 8.55700000 6.49300000 C 4.30000000 8.60000000 4.30000000 Ti 2.19300000 6.49300000 2.19300000 Ti 2.10700000 0.04300000 8.64300000 C 0.00000000 0.00000000 8.60000000 Ti 6.40700000 4.34300000 8.64300000 C 4.30000000 4.30000000 8.60000000 Ti 2.19300000 2.19300000 6.49300000 C 8.60000000 8.60000000 8.60000000 Ti 6.49300000 6.49300000 6.49300000 Ti -0.04300000 8.55700000 6.49300000 Ti 2.10700000 8.64300000 8.64300000 C 0.00000000 8.60000000 8.60000000 **************************************** Primitive vectors a(1) = 0.00000000 4.30000000 4.30000000 a(2) = 4.30000000 0.00000000 4.30000000 a(3) = 4.30000000 4.30000000 0.00000000 Volume = 159.01400000 Reciprocal vectors b(1) = -0.11627907 0.11627907 0.11627907 b(2) = 0.11627907 -0.11627907 0.11627907 b(3) = 0.11627907 0.11627907 -0.11627907 Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates C 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 C 0.00000000 1.00000000 0.50000000 6.45000000 2.15000000 4.30000000 C 1.00000000 0.50000000 0.00000000 2.15000000 4.30000000 6.45000000 C 0.50000000 0.00000000 1.00000000 4.30000000 6.45000000 2.15000000 Ti 0.24500000 0.24500000 0.24500000 2.10700000 2.10700000 2.10700000 Ti 0.24500000 1.24500000 -0.23500000 4.34300000 0.04300000 6.40700000 Ti 1.24500000 -0.23500000 0.24500000 0.04300000 6.40700000 4.34300000 Ti -0.23500000 0.24500000 1.24500000 6.40700000 4.34300000 0.04300000 Ti -0.24500000 -0.24500000 -0.24500000 -2.10700000 -2.10700000 -2.10700000 Ti -0.24500000 0.75500000 1.23500000 8.55700000 4.25700000 2.19300000 Ti 0.75500000 1.23500000 -0.24500000 4.25700000 2.19300000 8.55700000 Ti 1.23500000 -0.24500000 0.75500000 2.19300000 8.55700000 4.25700000