19 NiSSb & P2_1 3 #198 T^4 & cP12 & F0_1 & Pearson's Handbook Ni -0.14114400 -0.14114400 -0.14114400 S 2.29359000 2.29359000 2.29359000 Ni -0.14114400 -0.14114400 5.73985600 Ni 0.14114400 2.79935600 3.08164400 Sb 2.20537500 0.73512500 5.14587500 Ni -0.14114400 5.73985600 -0.14114400 Ni 2.79935600 3.08164400 0.14114400 Sb 0.73512500 5.14587500 2.20537500 Ni -0.14114400 5.73985600 5.73985600 S 0.64691000 3.58741000 5.23409000 Ni 5.73985600 -0.14114400 -0.14114400 Ni 3.08164400 0.14114400 2.79935600 Sb 5.14587500 2.20537500 0.73512500 Ni 5.73985600 -0.14114400 5.73985600 S 5.23409000 0.64691000 3.58741000 Ni 5.73985600 5.73985600 -0.14114400 S 3.58741000 5.23409000 0.64691000 Ni 5.73985600 5.73985600 5.73985600 Sb 3.67562500 3.67562500 3.67562500 **************************************** Primitive vectors a(1) = 5.88100000 0.00000000 0.00000000 a(2) = 0.00000000 5.88100000 0.00000000 a(3) = 0.00000000 0.00000000 5.88100000 Volume = 203.40121284 Reciprocal vectors b(1) = 0.17003911 0.00000000 0.00000000 b(2) = 0.00000000 0.17003911 0.00000000 b(3) = 0.00000000 0.00000000 0.17003911 Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates Ni -0.02400000 -0.02400000 -0.02400000 -0.14114400 -0.14114400 -0.14114400 Ni -0.47600000 0.02400000 0.47600000 -2.79935600 0.14114400 2.79935600 Ni 0.02400000 0.47600000 -0.47600000 0.14114400 2.79935600 -2.79935600 Ni 0.47600000 -0.47600000 0.02400000 2.79935600 -2.79935600 0.14114400 S 0.39000000 0.39000000 0.39000000 2.29359000 2.29359000 2.29359000 S 0.11000000 -0.39000000 -0.11000000 0.64691000 -2.29359000 -0.64691000 S -0.39000000 -0.11000000 0.11000000 -2.29359000 -0.64691000 0.64691000 S -0.11000000 0.11000000 -0.39000000 -0.64691000 0.64691000 -2.29359000 Sb -0.37500000 -0.37500000 -0.37500000 -2.20537500 -2.20537500 -2.20537500 Sb -0.12500000 0.37500000 0.12500000 -0.73512500 2.20537500 0.73512500 Sb 0.37500000 0.12500000 -0.12500000 2.20537500 0.73512500 -0.73512500 Sb 0.12500000 -0.12500000 0.37500000 0.73512500 -0.73512500 2.20537500