14 Cu Ti_3 & P4/mmm (#123) & tP4 & L6_0 Cu .00000000 .00000000 .00000000 Ti 2.07900000 2.07900000 .00000000 Ti .00000000 2.07900000 1.79700000 Ti 2.07900000 .00000000 1.79700000 Cu .00000000 .00000000 3.59400000 Ti 2.07900000 2.07900000 3.59400000 Cu .00000000 4.15800000 .00000000 Ti 2.07900000 4.15800000 1.79700000 Cu .00000000 4.15800000 3.59400000 Cu 4.15800000 .00000000 .00000000 Ti 4.15800000 2.07900000 1.79700000 Cu 4.15800000 .00000000 3.59400000 Cu 4.15800000 4.15800000 .00000000 Cu 4.15800000 4.15800000 3.59400000 **************************************** Primitive vectors a(1) = 4.15800000 .00000000 .00000000 a(2) = .00000000 4.15800000 .00000000 a(3) = .00000000 .00000000 3.59400000 Volume = 62.13653662 Reciprocal vectors b(1) = .24050024 .00000000 .00000000 b(2) = .00000000 .24050024 .00000000 b(3) = .00000000 .00000000 .27824151 Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates Cu .00000000 .00000000 .00000000 .00000000 .00000000 .00000000 Ti .50000000 .50000000 .00000000 2.07900000 2.07900000 .00000000 Ti .00000000 .50000000 .50000000 .00000000 2.07900000 1.79700000 Ti .50000000 .00000000 .50000000 2.07900000 .00000000 1.79700000