28 CO & P2_1 3 (#198, T^4) & B21 & cF8 C 0.33780000 0.33780000 0.33780000 C 3.15280000 2.47720000 -0.33780000 C -0.33780000 3.15280000 2.47720000 C 2.47720000 -0.33780000 3.15280000 O -0.22520000 -0.22520000 -0.22520000 O 2.58980000 3.04020000 0.22520000 O 0.22520000 2.58980000 3.04020000 O 3.04020000 0.22520000 2.58980000 C 0.33780000 0.33780000 5.96780000 C 3.15280000 2.47720000 5.29220000 O -0.22520000 -0.22520000 5.40480000 O 2.58980000 3.04020000 5.85520000 C 0.33780000 5.96780000 0.33780000 C 2.47720000 5.29220000 3.15280000 O -0.22520000 5.40480000 -0.22520000 O 3.04020000 5.85520000 2.58980000 C 0.33780000 5.96780000 5.96780000 O -0.22520000 5.40480000 5.40480000 C 5.96780000 0.33780000 0.33780000 C 5.29220000 3.15280000 2.47720000 O 5.40480000 -0.22520000 -0.22520000 O 5.85520000 2.58980000 3.04020000 C 5.96780000 0.33780000 5.96780000 O 5.40480000 -0.22520000 5.40480000 C 5.96780000 5.96780000 0.33780000 O 5.40480000 5.40480000 -0.22520000 C 5.96780000 5.96780000 5.96780000 O 5.40480000 5.40480000 5.40480000 **************************************** Primitive vectors a(1) = 5.63000000 0.00000000 0.00000000 a(2) = 0.00000000 5.63000000 0.00000000 a(3) = 0.00000000 0.00000000 5.63000000 Volume = 178.45354700 Reciprocal vectors b(1) = 0.17761989 0.00000000 0.00000000 b(2) = 0.00000000 0.17761989 0.00000000 b(3) = 0.00000000 0.00000000 0.17761989 Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates C 0.06000000 0.06000000 0.06000000 0.33780000 0.33780000 0.33780000 C 0.56000000 0.44000000 -0.06000000 3.15280000 2.47720000 -0.33780000 C -0.06000000 0.56000000 0.44000000 -0.33780000 3.15280000 2.47720000 C 0.44000000 -0.06000000 0.56000000 2.47720000 -0.33780000 3.15280000 O -0.04000000 -0.04000000 -0.04000000 -0.22520000 -0.22520000 -0.22520000 O 0.46000000 0.54000000 0.04000000 2.58980000 3.04020000 0.22520000 O 0.04000000 0.46000000 0.54000000 0.22520000 2.58980000 3.04020000 O 0.54000000 0.04000000 0.46000000 3.04020000 0.22520000 2.58980000