45 CdPt_3 & Cmmm-D_{2h}^{19} #65 (abf) & L1_3 & oC8 & Stefano Curtarolo, Dane Morg Pt 0.00000000 2.61629509 0.00000000 Pt 0.00000000 2.61629509 2.61629509 Pt 0.00000000 2.61629509 5.23259018 Cd 0.00000000 5.23259018 0.00000000 Pt 3.70000000 5.23259018 0.00000000 Pt 1.85000000 6.54073772 1.30814754 Pt 1.85000000 3.92444264 1.30814754 Cd 0.00000000 5.23259018 2.61629509 Pt 3.70000000 5.23259018 2.61629509 Pt 1.85000000 6.54073772 3.92444264 Pt 1.85000000 3.92444264 3.92444264 Cd 0.00000000 5.23259018 5.23259018 Pt 3.70000000 5.23259018 5.23259018 Pt 1.85000000 6.54073772 6.54073772 Pt 1.85000000 3.92444264 6.54073772 Pt 5.55000000 6.54073773 1.30814754 Pt 5.55000000 6.54073773 3.92444264 Pt 5.55000000 6.54073773 6.54073772 Cd 0.00000000 0.00000000 0.00000000 Pt 3.70000000 0.00000000 0.00000000 Pt 1.85000000 1.30814754 1.30814754 Cd 0.00000000 0.00000000 2.61629509 Pt 3.70000000 0.00000000 2.61629509 Pt 1.85000000 1.30814754 3.92444264 Cd 0.00000000 0.00000000 5.23259018 Pt 3.70000000 0.00000000 5.23259018 Pt 1.85000000 1.30814754 6.54073772 Cd 3.70000000 2.61629509 0.00000000 Pt 7.40000000 2.61629509 0.00000000 Pt 5.55000000 3.92444264 1.30814754 Pt 5.55000000 1.30814754 1.30814754 Cd 3.70000000 2.61629509 2.61629509 Pt 7.40000000 2.61629509 2.61629509 Pt 5.55000000 3.92444264 3.92444264 Pt 5.55000000 1.30814754 3.92444264 Cd 3.70000000 2.61629509 5.23259018 Pt 7.40000000 2.61629509 5.23259018 Pt 5.55000000 3.92444264 6.54073772 Pt 5.55000000 1.30814754 6.54073772 Cd 7.40000000 5.23259018 0.00000000 Cd 7.40000000 5.23259018 2.61629509 Cd 7.40000000 5.23259018 5.23259018 Cd 7.40000000 0.00000000 0.00000000 Cd 7.40000000 0.00000000 2.61629509 Cd 7.40000000 0.00000000 5.23259018 **************************************** Primitive vectors a(1) = 3.70000000 -2.61629509 0.00000000 a(2) = 3.70000000 2.61629509 0.00000000 a(3) = 0.00000000 0.00000000 2.61629509 Volume = 50.65299998 Reciprocal vectors b(1) = 0.13513514 -0.19110994 0.00000000 b(2) = 0.13513514 0.19110994 0.00000000 b(3) = 0.00000000 0.00000000 0.38221988 Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates Cd 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 Pt 0.50000000 0.50000000 0.00000000 3.70000000 0.00000000 0.00000000 Pt 0.00000000 0.50000000 0.50000000 1.85000000 1.30814754 1.30814754 Pt 0.50000000 0.00000000 0.50000000 1.85000000 -1.30814754 1.30814754