30 AlKTe_2 for SeTl & I4/mcm-D_{4h}^{18} #140 & tI16 & B37 & Pearson's Handbook V. I, p. 891 K 0.00000000 0.00000000 5.03250000 Te 1.44178800 5.82678800 6.71000000 Te 2.94321200 1.44178800 6.71000000 K 0.00000000 8.77000000 5.03250000 Al 0.00000000 4.38500000 5.03250000 Te 1.44178800 2.94321200 3.35500000 Te 5.82678800 7.32821200 6.71000000 K 8.77000000 0.00000000 5.03250000 Al 4.38500000 0.00000000 5.03250000 Te 5.82678800 1.44178800 3.35500000 Te 7.32821200 2.94321200 6.71000000 K 0.00000000 0.00000000 1.67750000 K 4.38500000 4.38500000 1.67750000 Al 0.00000000 4.38500000 1.67750000 Al 4.38500000 0.00000000 1.67750000 Te 1.44178800 5.82678800 0.00000000 Te 2.94321200 1.44178800 0.00000000 K 4.38500000 4.38500000 5.03250000 K 8.77000000 8.77000000 5.03250000 Al 4.38500000 8.77000000 5.03250000 Al 8.77000000 4.38500000 5.03250000 Te 2.94321200 7.32821200 3.35500000 Te 7.32821200 5.82678800 3.35500000 K 0.00000000 8.77000000 1.67750000 Al 4.38500000 8.77000000 1.67750000 Te 5.82678800 7.32821200 0.00000000 K 8.77000000 0.00000000 1.67750000 Al 8.77000000 4.38500000 1.67750000 Te 7.32821200 2.94321200 0.00000000 K 8.77000000 8.77000000 1.67750000 **************************************** Primitive vectors a(1) = 8.77000000 0.00000000 0.00000000 a(2) = 0.00000000 8.77000000 0.00000000 a(3) = 4.38500000 4.38500000 3.35500000 Volume = 258.04277950 Reciprocal vectors b(1) = 0.11402509 0.00000000 -0.14903130 b(2) = 0.00000000 0.11402509 -0.14903130 b(3) = 0.00000000 0.00000000 0.29806259 Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates K -0.25000000 -0.25000000 0.50000000 0.00000000 0.00000000 1.67750000 K 0.25000000 0.25000000 0.50000000 4.38500000 4.38500000 1.67750000 Al -0.25000000 0.25000000 0.50000000 0.00000000 4.38500000 1.67750000 Al 0.25000000 -0.25000000 0.50000000 4.38500000 0.00000000 1.67750000 Te 0.16440000 0.66440000 0.00000000 1.44178800 5.82678800 0.00000000 Te -0.16440000 0.33560000 0.00000000 -1.44178800 2.94321200 0.00000000 Te 0.33560000 0.16440000 0.00000000 2.94321200 1.44178800 0.00000000 Te 0.66440000 -0.16440000 0.00000000 5.82678800 -1.44178800 0.00000000