66 P_2 I_4 & P(-1)-C_i^1 #2 & Wyckoff, Vol. I, p 375 P 0.16705481 4.91033677 3.24670290 I 1.44853252 5.25973670 1.15703235 I 1.42980482 6.27937981 4.87356051 I 0.44157225 12.24755689 1.15703235 I 0.42284454 13.26720000 4.87356051 P 4.72705481 4.91033677 3.24670290 I 6.00853252 5.25973670 1.15703235 I 5.98980482 6.27937981 4.87356051 P 2.56762159 5.87171835 10.25902018 I 3.84909930 6.22111828 8.16934963 I 3.83037160 7.24076139 11.88587779 P 3.72009453 11.89815696 3.24670290 I 5.00157225 12.24755689 1.15703235 I 4.98284454 13.26720000 4.87356051 P 1.56066132 12.85953854 10.25902018 P 1.22655170 3.03886500 3.76561438 I 2.84213903 13.20893847 8.16934963 I -0.05492601 2.68946507 5.85528493 I 2.82341133 14.22858158 11.88587779 I -0.03619831 1.66982196 2.13875677 P 0.21959143 10.02668519 3.76561438 P 9.28705481 4.91033677 3.24670290 I 10.56853252 5.25973670 1.15703235 I 10.54980482 6.27937981 4.87356051 P 7.12762159 5.87171835 10.25902018 I 8.40909930 6.22111828 8.16934963 I 8.39037160 7.24076139 11.88587779 P 8.28009453 11.89815696 3.24670290 I 9.56157225 12.24755689 1.15703235 I 9.54284454 13.26720000 4.87356051 P 6.12066132 12.85953854 10.25902018 P 5.78655170 3.03886500 3.76561438 I 7.40213903 13.20893847 8.16934963 I 4.50507399 2.68946507 5.85528493 I 7.38341133 14.22858158 11.88587779 I 4.52380169 1.66982196 2.13875677 P 3.62711849 4.00024658 10.77793166 I 2.34564077 3.65084665 12.86760221 I 2.36436848 2.63120354 9.15107405 P 4.77959143 10.02668519 3.76561438 I 3.49811372 9.67728526 5.85528493 I 3.51684142 8.65764215 2.13875677 P 2.62015821 10.98806677 10.77793166 I 1.33868050 10.63866684 12.86760221 I 1.35740821 9.61902373 9.15107405 P 11.68762159 5.87171835 10.25902018 P 10.68066132 12.85953854 10.25902018 P 10.34655170 3.03886500 3.76561438 I 11.96213903 13.20893847 8.16934963 I 9.06507399 2.68946507 5.85528493 I 11.94341133 14.22858158 11.88587779 I 9.08380169 1.66982196 2.13875677 P 8.18711849 4.00024658 10.77793166 I 6.90564077 3.65084665 12.86760221 I 6.92436848 2.63120354 9.15107405 P 9.33959143 10.02668519 3.76561438 I 8.05811372 9.67728526 5.85528493 I 8.07684142 8.65764215 2.13875677 P 7.18015821 10.98806677 10.77793166 I 5.89868050 10.63866684 12.86760221 I 5.91740821 9.61902373 9.15107405 I 11.46564077 3.65084665 12.86760221 I 11.48436848 2.63120354 9.15107405 P 11.74015821 10.98806677 10.77793166 I 10.45868050 10.63866684 12.86760221 I 10.47740821 9.61902373 9.15107405 **************************************** Primitive vectors a(1) = 4.56000000 0.00000000 0.00000000 a(2) = -1.00696027 6.98782019 0.00000000 a(3) = -2.15943322 0.96138158 7.01231728 Volume = 223.44370395 Reciprocal vectors b(1) = 0.21929825 0.03160136 0.06320007 b(2) = 0.00000000 0.14310614 -0.01961971 b(3) = 0.00000000 0.00000000 0.14260621 Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates P 0.39700000 0.63900000 0.46300000 0.16705481 4.91033677 3.24670290 P -0.39700000 -0.63900000 -0.46300000 -0.16705481 -4.91033677 -3.24670290 I 0.55700000 0.73000000 0.16500000 1.44853252 5.25973670 1.15703235 I -0.55700000 -0.73000000 -0.16500000 -1.44853252 -5.25973670 -1.15703235 I 0.82000000 0.80300000 0.69500000 1.42980482 6.27937981 4.87356051 I -0.82000000 -0.80300000 -0.69500000 -1.42980482 -6.27937981 -4.87356051