33 NbZr_2 & P(-3)m1 (#164) & hP3 & trigonal omega Nb -4.80000000 .00000000 .00000000 Zr -2.40000000 1.38564065 1.61040000 Zr -2.40000000 -1.38564065 1.31760000 Nb -4.80000000 .00000000 2.92800000 Zr -2.40000000 1.38564065 4.53840000 Zr -2.40000000 -1.38564065 4.24560000 Nb -4.80000000 .00000000 5.85600000 Nb -2.40000000 4.15692194 .00000000 Zr .00000000 2.77128129 1.31760000 Nb -2.40000000 4.15692194 2.92800000 Zr .00000000 2.77128129 4.24560000 Nb -2.40000000 4.15692194 5.85600000 Nb -2.40000000 -4.15692194 .00000000 Zr .00000000 -2.77128129 1.61040000 Nb -2.40000000 -4.15692194 2.92800000 Zr .00000000 -2.77128129 4.53840000 Nb -2.40000000 -4.15692194 5.85600000 Nb .00000000 .00000000 .00000000 Zr 2.40000000 1.38564065 1.61040000 Zr 2.40000000 -1.38564065 1.31760000 Nb .00000000 .00000000 2.92800000 Zr 2.40000000 1.38564065 4.53840000 Zr 2.40000000 -1.38564065 4.24560000 Nb .00000000 .00000000 5.85600000 Nb 2.40000000 4.15692194 .00000000 Nb 2.40000000 4.15692194 2.92800000 Nb 2.40000000 4.15692194 5.85600000 Nb 2.40000000 -4.15692194 .00000000 Nb 2.40000000 -4.15692194 2.92800000 Nb 2.40000000 -4.15692194 5.85600000 Nb 4.80000000 .00000000 .00000000 Nb 4.80000000 .00000000 2.92800000 Nb 4.80000000 .00000000 5.85600000 **************************************** Primitive vectors a(1) = 2.40000000 -4.15692194 .00000000 a(2) = 2.40000000 4.15692194 .00000000 a(3) = .00000000 .00000000 2.92800000 Volume = 58.42304369 Reciprocal vectors b(1) = .20833333 -.12028131 .00000000 b(2) = .20833333 .12028131 -.00000000 b(3) = -.00000000 .00000000 .34153005 Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates Nb .00000000 .00000000 .00000000 .00000000 .00000000 .00000000 Zr .33333333 .66666667 .55000000 2.40000000 1.38564065 1.61040000 Zr .66666667 .33333333 .45000000 2.40000000 -1.38564065 1.31760000