40 AsCuSiZr & P4/nmm-D_{4h}^7 #129 (abc^2) & tP8 & Origin Choice 1 & J Solid State Chem. 11, 161 (1974) As -0.9184000000 -0.9184000000 3.0694838400 Zr -0.9184000000 -0.9184000000 7.4215084800 Si -0.9184000000 0.9184000000 0.0000000000 Cu -0.9184000000 0.9184000000 4.7856000000 Si -0.9184000000 0.9184000000 9.5712000000 As -0.9184000000 2.7552000000 3.0694838400 Zr -0.9184000000 2.7552000000 7.4215084800 Si -0.9184000000 4.5920000000 0.0000000000 Cu -0.9184000000 4.5920000000 4.7856000000 Si -0.9184000000 4.5920000000 9.5712000000 Si 0.9184000000 -0.9184000000 0.0000000000 Cu 0.9184000000 -0.9184000000 4.7856000000 Si 0.9184000000 -0.9184000000 9.5712000000 As 2.7552000000 -0.9184000000 3.0694838400 Zr 2.7552000000 -0.9184000000 7.4215084800 Si 0.9184000000 2.7552000000 0.0000000000 Si 2.7552000000 0.9184000000 0.0000000000 Cu 0.9184000000 2.7552000000 4.7856000000 Cu 2.7552000000 0.9184000000 4.7856000000 As 0.9184000000 0.9184000000 6.5017161600 Zr 0.9184000000 0.9184000000 2.1496915200 Si 0.9184000000 2.7552000000 9.5712000000 Si 2.7552000000 0.9184000000 9.5712000000 As 2.7552000000 2.7552000000 3.0694838400 Zr 2.7552000000 2.7552000000 7.4215084800 Si 2.7552000000 4.5920000000 0.0000000000 Cu 2.7552000000 4.5920000000 4.7856000000 As 0.9184000000 4.5920000000 6.5017161600 Zr 0.9184000000 4.5920000000 2.1496915200 Si 2.7552000000 4.5920000000 9.5712000000 Si 4.5920000000 -0.9184000000 0.0000000000 Cu 4.5920000000 -0.9184000000 4.7856000000 Si 4.5920000000 -0.9184000000 9.5712000000 Si 4.5920000000 2.7552000000 0.0000000000 Cu 4.5920000000 2.7552000000 4.7856000000 As 4.5920000000 0.9184000000 6.5017161600 Zr 4.5920000000 0.9184000000 2.1496915200 Si 4.5920000000 2.7552000000 9.5712000000 As 4.5920000000 4.5920000000 6.5017161600 Zr 4.5920000000 4.5920000000 2.1496915200 **************************************** Primitive Vectors: a(1) = 3.67360000 0.00000000 0.00000000 a(2) = 0.00000000 3.67360000 0.00000000 a(3) = 0.00000000 0.00000000 9.57120000 Volume =129.16656911 Reciprocal Vectors: b(1) = 23.08190954 0.00000000 0.00000000 b(2) = 0.00000000 23.08190954 0.00000000 b(3) = 0.00000000 0.00000000 60.13762321 8 atoms in the basis Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates Si 0.25000000 0.75000000 0.00000000 0.91840000 2.75520000 0.00000000 Si 0.75000000 0.25000000 0.00000000 2.75520000 0.91840000 0.00000000 Cu 0.25000000 0.75000000 0.50000000 0.91840000 2.75520000 4.78560000 Cu 0.75000000 0.25000000 0.50000000 2.75520000 0.91840000 4.78560000 As 0.25000000 0.25000000 0.67930000 0.91840000 0.91840000 6.50171616 As 0.75000000 0.75000000 -0.67930000 2.75520000 2.75520000 -6.50171616 Zr 0.25000000 0.25000000 0.22460000 0.91840000 0.91840000 2.14969152 Zr 0.75000000 0.75000000 -0.22460000 2.75520000 2.75520000 -2.14969152