A6B2C3D_tI168_139_egikl2m_ejn_bh2n_acf & a,c/a,z4,z5,z7,x8,x9,x10,x11,x12,y12,x13,z13,x14,z14,y15,z15,y16,z16,y17,z17 --params=15.841,1.1366075374,0.142,0.347,0.142,0.214,0.161,0.673,0.364,0.386,0.114,0.181,0.362,0.16,0.163,0.157,0.276,0.295,0.132,0.293,0.376 & I4/mmm D_{4h}^{17} #139 (abce^2fghijklm^2n^3) & tI168 & $J3_{1}$ & Cl6(H2O)2K3Tl & Cl6(H2O)2K3Tl & J. L. Hoard and L. Goldstein, J. Chem. Phys. 3, 645-649 (1935) 1.00000000000000 -7.92050000000000 7.92050000000000 9.00250000000000 7.92050000000000 -7.92050000000000 9.00250000000000 7.92050000000000 7.92050000000000 -9.00250000000000 Cl H2O K Tl 42 14 21 7 Direct 0.14200000000000 0.14200000000000 0.00000000000000 Cl (4e) -0.14200000000000 -0.14200000000000 0.00000000000000 Cl (4e) 0.64200000000000 0.14200000000000 0.50000000000000 Cl (8g) 0.14200000000000 0.64200000000000 0.50000000000000 Cl (8g) 0.35800000000000 -0.14200000000000 0.50000000000000 Cl (8g) -0.14200000000000 0.35800000000000 0.50000000000000 Cl (8g) 0.00000000000000 0.16100000000000 0.16100000000000 Cl (8i) 0.00000000000000 -0.16100000000000 -0.16100000000000 Cl (8i) 0.16100000000000 0.00000000000000 0.16100000000000 Cl (8i) -0.16100000000000 0.00000000000000 -0.16100000000000 Cl (8i) 1.11400000000000 0.61400000000000 1.22800000000000 Cl (16k) 0.38600000000000 -0.11400000000000 -0.22800000000000 Cl (16k) 0.61400000000000 0.38600000000000 0.50000000000000 Cl (16k) -0.11400000000000 1.11400000000000 0.50000000000000 Cl (16k) -0.11400000000000 0.38600000000000 -0.22800000000000 Cl (16k) 0.61400000000000 1.11400000000000 1.22800000000000 Cl (16k) 0.38600000000000 0.61400000000000 0.50000000000000 Cl (16k) 1.11400000000000 -0.11400000000000 0.50000000000000 Cl (16k) 0.11400000000000 0.38600000000000 0.50000000000000 Cl (16l) -0.11400000000000 -0.38600000000000 -0.50000000000000 Cl (16l) 0.38600000000000 -0.11400000000000 0.27200000000000 Cl (16l) -0.38600000000000 0.11400000000000 -0.27200000000000 Cl (16l) 0.11400000000000 -0.38600000000000 -0.27200000000000 Cl (16l) -0.11400000000000 0.38600000000000 0.27200000000000 Cl (16l) 0.38600000000000 0.11400000000000 0.50000000000000 Cl (16l) -0.38600000000000 -0.11400000000000 -0.50000000000000 Cl (16l) 0.54300000000000 0.54300000000000 0.36200000000000 Cl (16m) 0.18100000000000 0.18100000000000 -0.36200000000000 Cl (16m) 0.54300000000000 0.18100000000000 0.00000000000000 Cl (16m) 0.18100000000000 0.54300000000000 0.00000000000000 Cl (16m) -0.18100000000000 -0.54300000000000 0.00000000000000 Cl (16m) -0.54300000000000 -0.18100000000000 0.00000000000000 Cl (16m) -0.18100000000000 -0.18100000000000 0.36200000000000 Cl (16m) -0.54300000000000 -0.54300000000000 -0.36200000000000 Cl (16m) 0.32300000000000 0.32300000000000 0.32000000000000 Cl (16m) 0.00300000000000 0.00300000000000 -0.32000000000000 Cl (16m) 0.32300000000000 0.00300000000000 0.00000000000000 Cl (16m) 0.00300000000000 0.32300000000000 0.00000000000000 Cl (16m) -0.00300000000000 -0.32300000000000 0.00000000000000 Cl (16m) -0.32300000000000 -0.00300000000000 0.00000000000000 Cl (16m) -0.00300000000000 -0.00300000000000 0.32000000000000 Cl (16m) -0.32300000000000 -0.32300000000000 -0.32000000000000 Cl (16m) 0.34700000000000 0.34700000000000 0.00000000000000 H2O (4e) -0.34700000000000 -0.34700000000000 0.00000000000000 H2O (4e) 0.50000000000000 0.67300000000000 1.17300000000000 H2O (8j) 0.50000000000000 -0.67300000000000 -0.17300000000000 H2O (8j) 0.67300000000000 0.50000000000000 1.17300000000000 H2O (8j) -0.67300000000000 0.50000000000000 -0.17300000000000 H2O (8j) 0.43300000000000 0.27600000000000 0.15700000000000 H2O (16n) 0.11900000000000 0.27600000000000 -0.15700000000000 H2O (16n) 0.27600000000000 0.11900000000000 -0.15700000000000 H2O (16n) 0.27600000000000 0.43300000000000 0.15700000000000 H2O (16n) -0.11900000000000 -0.27600000000000 0.15700000000000 H2O (16n) -0.43300000000000 -0.27600000000000 -0.15700000000000 H2O (16n) -0.27600000000000 -0.11900000000000 0.15700000000000 H2O (16n) -0.27600000000000 -0.43300000000000 -0.15700000000000 H2O (16n) 0.50000000000000 0.50000000000000 0.00000000000000 K (2b) 0.21400000000000 0.21400000000000 0.42800000000000 K (8h) -0.21400000000000 -0.21400000000000 -0.42800000000000 K (8h) 0.21400000000000 -0.21400000000000 0.00000000000000 K (8h) -0.21400000000000 0.21400000000000 0.00000000000000 K (8h) 0.42700000000000 0.13200000000000 0.29500000000000 K (16n) -0.16300000000000 0.13200000000000 -0.29500000000000 K (16n) 0.13200000000000 -0.16300000000000 -0.29500000000000 K (16n) 0.13200000000000 0.42700000000000 0.29500000000000 K (16n) 0.16300000000000 -0.13200000000000 0.29500000000000 K (16n) -0.42700000000000 -0.13200000000000 -0.29500000000000 K (16n) -0.13200000000000 0.16300000000000 0.29500000000000 K (16n) -0.13200000000000 -0.42700000000000 -0.29500000000000 K (16n) 0.66900000000000 0.37600000000000 0.29300000000000 K (16n) 0.08300000000000 0.37600000000000 -0.29300000000000 K (16n) 0.37600000000000 0.08300000000000 -0.29300000000000 K (16n) 0.37600000000000 0.66900000000000 0.29300000000000 K (16n) -0.08300000000000 -0.37600000000000 0.29300000000000 K (16n) -0.66900000000000 -0.37600000000000 -0.29300000000000 K (16n) -0.37600000000000 -0.08300000000000 0.29300000000000 K (16n) -0.37600000000000 -0.66900000000000 -0.29300000000000 K (16n) 0.00000000000000 0.00000000000000 0.00000000000000 Tl (2a) 0.50000000000000 0.00000000000000 0.50000000000000 Tl (4c) 0.00000000000000 0.50000000000000 0.50000000000000 Tl (4c) 0.50000000000000 0.50000000000000 0.50000000000000 Tl (8f) 0.00000000000000 0.00000000000000 0.50000000000000 Tl (8f) 0.50000000000000 0.00000000000000 0.00000000000000 Tl (8f) 0.00000000000000 0.50000000000000 0.00000000000000 Tl (8f)