30 Ir_3 Si & I4/mcm (#140) D_{4h}^{18} & tI16 & D0_c & Villars and Calvert, Pearson's Handbook IV 4125 Si 0.00000000 0.00000000 5.96550000 Ir 0.96607000 3.57707000 7.95400000 Ir 1.64493000 0.96607000 7.95400000 Ir 0.00000000 2.61100000 5.96550000 Ir 0.96607000 1.64493000 3.97700000 Si 0.00000000 5.22200000 5.96550000 Ir 3.57707000 4.25593000 7.95400000 Ir 2.61100000 0.00000000 5.96550000 Ir 3.57707000 0.96607000 3.97700000 Si 5.22200000 0.00000000 5.96550000 Ir 4.25593000 1.64493000 7.95400000 Si 0.00000000 0.00000000 1.98850000 Ir 0.00000000 2.61100000 1.98850000 Ir 2.61100000 0.00000000 1.98850000 Ir 0.96607000 3.57707000 0.00000000 Ir 1.64493000 0.96607000 0.00000000 Si 2.61100000 2.61100000 5.96550000 Si 2.61100000 2.61100000 1.98850000 Ir 2.61100000 5.22200000 5.96550000 Ir 5.22200000 2.61100000 5.96550000 Ir 1.64493000 4.25593000 3.97700000 Ir 4.25593000 3.57707000 3.97700000 Si 5.22200000 5.22200000 5.96550000 Si 0.00000000 5.22200000 1.98850000 Ir 2.61100000 5.22200000 1.98850000 Ir 3.57707000 4.25593000 0.00000000 Si 5.22200000 0.00000000 1.98850000 Ir 5.22200000 2.61100000 1.98850000 Ir 4.25593000 1.64493000 0.00000000 Si 5.22200000 5.22200000 1.98850000 **************************************** Primitive vectors a(1) = 5.22200000 0.00000000 0.00000000 a(2) = 0.00000000 5.22200000 0.00000000 a(3) = 2.61100000 2.61100000 3.97700000 Volume = 108.44994247 Reciprocal vectors b(1) = 0.19149751 0.00000000 -0.12572291 b(2) = 0.00000000 0.19149751 -0.12572291 b(3) = 0.00000000 0.00000000 0.25144581 Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates Si -0.25000000 -0.25000000 0.50000000 0.00000000 0.00000000 1.98850000 Si 0.25000000 0.25000000 -0.50000000 0.00000000 0.00000000 -1.98850000 Ir -0.25000000 0.25000000 0.50000000 0.00000000 2.61100000 1.98850000 Ir 0.25000000 -0.25000000 0.50000000 2.61100000 0.00000000 1.98850000 Ir 0.18500000 0.68500000 0.00000000 0.96607000 3.57707000 0.00000000 Ir -0.18500000 0.31500000 0.00000000 -0.96607000 1.64493000 0.00000000 Ir 0.31500000 0.18500000 0.00000000 1.64493000 0.96607000 0.00000000 Ir 0.68500000 -0.18500000 0.00000000 3.57707000 -0.96607000 0.00000000