88 AsKSe_2 & P1 (#1, C^1_1) & aP16 & Pearson's Handbook I, 1164 As 2.17848205 -0.73947608 0.10282868 K 4.70823710 -0.73918220 2.73947696 Se 1.21089452 -1.31831179 4.17968333 As 0.20438367 -2.31126686 6.15157445 K 2.73413872 -2.31097298 8.78822273 As 1.81687650 0.86137646 5.14324853 As 0.23958645 4.11434442 5.30716954 As 0.03100544 8.15919014 0.93755559 K 0.34894612 2.87188620 1.36762142 K 3.87756673 5.52519474 2.50599537 K 1.08599123 8.20359369 4.66600249 K 2.41130122 11.67816331 2.73947696 Se 3.57174912 2.21511871 1.38153353 Se 0.62662942 5.32378594 3.39576588 Se 2.26611476 8.40104779 1.50250845 Sn 0.00000000 0.00000000 0.00000000 K 1.90346835 3.95340396 8.55474114 K 0.43720284 10.10637253 8.78822273 Se 1.59765074 0.64332793 7.43027930 Se 0.29201638 6.82925701 7.55125422 As 8.73648205 -0.73947608 0.10282868 K 11.26623710 -0.73918220 2.73947696 Se 7.76889452 -1.31831179 4.17968333 As 6.76238367 -2.31126686 6.15157445 K 9.29213872 -2.31097298 8.78822273 Se 5.79479614 -2.89010257 10.22842910 As 8.37487650 0.86137646 5.14324853 As 6.79758645 4.11434442 5.30716954 As 6.58900544 8.15919014 0.93755559 As 6.43954617 11.67786943 0.10282868 K 6.90694612 2.87188620 1.36762142 K 10.43556673 5.52519474 2.50599537 K 7.64399123 8.20359369 4.66600249 K 8.96930122 11.67816331 2.73947696 Se 10.12974912 2.21511871 1.38153353 Se 5.47195864 11.09903372 4.17968333 Se 7.18462942 5.32378594 3.39576588 Se 6.25898889 1.87978459 4.46397438 Se 8.82411476 8.40104779 1.50250845 Se 4.42875051 4.49073326 5.74146948 Sn 6.55800000 0.00000000 0.00000000 Se 4.37585041 7.95516948 4.97690802 As 6.40077812 -0.71041432 11.19199430 As 4.82348807 2.54255364 11.35591531 As 4.61490706 6.58739936 6.98630136 As 4.46544779 10.10607865 6.15157445 K 4.93284774 1.30009542 7.41636719 K 8.46146835 3.95340396 8.55474114 K 5.66989285 6.63180291 10.71474826 K 6.99520284 10.10637253 8.78822273 Se 8.15565074 0.64332793 7.43027930 Se 3.49786026 9.52724294 10.22842910 Se 5.21053104 3.75199516 9.44451165 Se 4.28489051 0.30799381 10.51272015 Se 6.85001638 6.82925701 7.55125422 Se 2.45465213 2.91894248 11.79021525 Sn 4.58390162 -1.57179078 6.04874577 Se 2.40175203 6.38337870 11.02565379 Sn 2.60980324 -3.14358156 12.09749154 Sn 4.26106412 12.41734551 0.00000000 As 4.10384224 11.70693119 11.19199430 Sn 2.28696574 10.84555473 6.04874577 Sn 0.31286736 9.27376395 12.09749154 Se 12.35279614 -2.89010257 10.22842910 As 13.14700544 8.15919014 0.93755559 As 12.99754617 11.67786943 0.10282868 Se 12.02995864 11.09903372 4.17968333 Se 12.81698889 1.87978459 4.46397438 Se 10.98675051 4.49073326 5.74146948 Sn 13.11600000 0.00000000 0.00000000 Se 10.93385041 7.95516948 4.97690802 As 12.95877812 -0.71041432 11.19199430 As 11.38148807 2.54255364 11.35591531 As 11.17290706 6.58739936 6.98630136 As 11.02344779 10.10607865 6.15157445 K 11.49084774 1.30009542 7.41636719 K 12.22789285 6.63180291 10.71474826 Se 10.05586026 9.52724294 10.22842910 Se 11.76853104 3.75199516 9.44451165 Se 10.84289051 0.30799381 10.51272015 Se 9.01265213 2.91894248 11.79021525 Sn 11.14190162 -1.57179078 6.04874577 Se 8.95975203 6.38337870 11.02565379 Sn 9.16780324 -3.14358156 12.09749154 Sn 10.81906412 12.41734551 0.00000000 As 10.66184224 11.70693119 11.19199430 Sn 8.84496574 10.84555473 6.04874577 Sn 6.87086736 9.27376395 12.09749154 **************************************** Primitive vectors a(1) = 6.55800000 0.00000000 0.00000000 a(2) = -2.29693588 12.41734551 0.00000000 a(3) = -1.97409838 -1.57179078 6.04874577 Volume = 492.56722307 Reciprocal vectors b(1) = 0.15248551 0.02820647 0.05709548 b(2) = 0.00000000 0.08053251 0.02092669 b(3) = 0.00000000 0.00000000 0.16532353 Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates As 0.59500000 0.17700000 0.85030000 1.81687650 0.86137646 5.14324853 As 0.45560000 0.44240000 0.87740000 0.23958645 4.11434442 5.30716954 As 0.28840000 0.67670000 0.15500000 0.03100544 8.15919014 0.93755559 As 0.31720000 0.94260000 0.01700000 -0.11845383 11.67786943 0.10282868 K 0.21230000 0.25990000 0.22610000 0.34894612 2.87188620 1.36762142 K 0.89020000 0.49740000 0.41430000 3.87756673 5.52519474 2.50599537 K 0.66340000 0.75830000 0.77140000 1.08599123 8.20359369 4.66600249 K 0.85350000 0.99780000 0.45290000 2.41130122 11.67816331 2.73947696 Se 0.68600000 0.20730000 0.22840000 3.57174912 2.21511871 1.38153353 Se 0.38610000 0.98130000 0.69100000 -1.08604136 11.09903372 4.17968333 Se 0.43960000 0.49980000 0.56140000 0.62662942 5.32378594 3.39576588 Se 0.26230000 0.24480000 0.73800000 -0.29901111 1.87978459 4.46397438 Se 0.66830000 0.70800000 0.24840000 2.26611476 8.40104779 1.50250845 Se 0.12980000 0.48180000 0.94920000 -2.12924949 4.49073326 5.74146948 Sn 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 Se 0.17580000 0.74480000 0.82280000 -2.18214959 7.95516948 4.97690802