72 Hexagonal Diamond & C & P6_3/mmc #194 D_{6h}^4 & hP4 C -3.78655680 0.72872321 0.25764256 C -3.78655680 -0.72872321 2.31878302 C -3.78655680 0.72872321 1.80349790 C -3.78655680 0.72872321 4.37992348 C -3.78655680 0.72872321 5.92577882 C -3.78655680 -0.72872321 3.86463836 C -2.52437120 2.91489281 0.25764256 C -2.52437120 1.45744639 2.31878302 C -2.52437120 2.91489281 1.80349790 C -2.52437120 2.91489281 4.37992348 C -2.52437120 2.91489281 5.92577882 C -2.52437120 1.45744639 3.86463836 C -1.26218560 3.64361599 2.31878302 C -1.26218560 3.64361599 3.86463836 C -2.52437120 -1.45744639 0.25764256 C -2.52437120 -2.91489281 2.31878302 C -2.52437120 -1.45744639 1.80349790 C -2.52437120 -1.45744639 4.37992348 C -2.52437120 -1.45744639 5.92577882 C -2.52437120 -2.91489281 3.86463836 C -1.26218560 0.72872321 0.25764256 C -1.26218560 -0.72872321 2.31878302 C -1.26218560 0.72872321 1.80349790 C -1.26218560 0.72872321 4.37992348 C -1.26218560 0.72872321 5.92577882 C -1.26218560 -0.72872321 3.86463836 C 0.00000000 2.91489281 0.25764256 C 0.00000000 1.45744639 2.31878302 C 0.00000000 2.91489281 1.80349790 C 0.00000000 2.91489281 4.37992348 C 0.00000000 2.91489281 5.92577882 C 0.00000000 1.45744639 3.86463836 C 1.26218560 3.64361599 2.31878302 C 1.26218560 3.64361599 3.86463836 C -1.26218560 -3.64361599 0.25764256 C -1.26218560 -3.64361599 1.80349790 C -1.26218560 -3.64361599 4.37992348 C -1.26218560 -3.64361599 5.92577882 C 0.00000000 -1.45744639 0.25764256 C 0.00000000 -2.91489281 2.31878302 C 0.00000000 -1.45744639 1.80349790 C 0.00000000 -1.45744639 4.37992348 C 0.00000000 -1.45744639 5.92577882 C 0.00000000 -2.91489281 3.86463836 C 1.26218560 0.72872321 0.25764256 C 1.26218560 -0.72872321 2.31878302 C 1.26218560 0.72872321 1.80349790 C 1.26218560 0.72872321 4.37992348 C 1.26218560 0.72872321 5.92577882 C 1.26218560 -0.72872321 3.86463836 C 2.52437120 2.91489281 0.25764256 C 2.52437120 1.45744639 2.31878302 C 2.52437120 2.91489281 1.80349790 C 2.52437120 2.91489281 4.37992348 C 2.52437120 2.91489281 5.92577882 C 2.52437120 1.45744639 3.86463836 C 1.26218560 -3.64361599 0.25764256 C 1.26218560 -3.64361599 1.80349790 C 1.26218560 -3.64361599 4.37992348 C 1.26218560 -3.64361599 5.92577882 C 2.52437120 -1.45744639 0.25764256 C 2.52437120 -2.91489281 2.31878302 C 2.52437120 -1.45744639 1.80349790 C 2.52437120 -1.45744639 4.37992348 C 2.52437120 -1.45744639 5.92577882 C 2.52437120 -2.91489281 3.86463836 C 3.78655680 0.72872321 0.25764256 C 3.78655680 -0.72872321 2.31878302 C 3.78655680 0.72872321 1.80349790 C 3.78655680 0.72872321 4.37992348 C 3.78655680 0.72872321 5.92577882 C 3.78655680 -0.72872321 3.86463836 **************************************** Primitive vectors a(1) = 1.26218560 -2.18616960 0.00000000 a(2) = 1.26218560 2.18616960 0.00000000 a(3) = 0.00000000 0.00000000 4.12228092 Volume = 22.74964646 Reciprocal vectors b(1) = 0.39613825 -0.22871053 0.00000000 b(2) = 0.39613825 0.22871053 0.00000000 b(3) = 0.00000000 0.00000000 0.24258415 Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates C 0.33333333 0.66666667 0.06250000 1.26218560 0.72872321 0.25764256 C 0.66666667 0.33333333 0.56250000 1.26218560 -0.72872321 2.31878302 C 0.33333333 0.66666667 0.43750000 1.26218560 0.72872321 1.80349790 C 0.66666667 0.33333333 -0.06250000 1.26218560 -0.72872321 -0.25764256