This file generated by CrystalMaker 6.3.7, (c) 1994-2003 CrystalMaker Software Limited Unit cell parameters:- a = 5.14800; b = 5.14800; c = 13.86300 A alpha = 90.0000; beta = 90.0000; gamma = 120.0000 degrees Total of 46 atoms in range Fractional Coordinates Orthogonal Coordinates [A] Elmt Label x y z xor yor zor Nb T1 0.0000 0.0000 0.0000 0.000 0.000 -0.000 Nb T1 0.6667 0.3333 0.3333 -2.181 -4.157 -2.854 Nb T1 0.3333 0.6667 0.6667 0.610 -8.625 -4.414 Nb T1 0.0000 0.0000 0.5000 -0.117 -6.828 -1.187 Nb T1 0.6667 0.3333 0.8333 -2.299 -10.986 -4.041 Nb T1 0.3333 0.6667 0.1667 0.728 -1.797 -3.227 Nb T1 1.0000 0.0000 0.0000 -4.973 0.310 -1.294 Nb T1 1.0000 0.0000 0.5000 -5.090 -6.518 -2.481 Nb T1 0.0000 1.0000 0.0000 3.637 0.563 -3.600 Nb T1 0.0000 1.0000 0.5000 3.519 -6.265 -4.787 Nb T1 1.0000 1.0000 0.0000 -1.336 0.874 -4.894 Nb T1 1.0000 1.0000 0.5000 -1.454 -5.955 -6.081 Nb T1 0.0000 0.0000 1.0000 -0.235 -13.656 -2.374 Nb T1 1.0000 0.0000 1.0000 -5.208 -13.346 -3.668 Nb T1 0.0000 1.0000 1.0000 3.402 -13.093 -5.974 Nb T1 1.0000 1.0000 1.0000 -1.571 -12.783 -7.268 O T2 0.0492 0.3446 0.0647 0.993 -0.674 -1.458 O T2 0.7159 0.6779 0.3980 -1.188 -4.832 -4.312 O T2 0.3825 0.0113 0.7314 -2.033 -9.863 -2.272 O T2 0.6554 0.7046 0.0647 -0.712 -0.283 -3.538 O T2 0.3221 0.0379 0.3980 -1.557 -5.314 -1.498 O T2 0.9887 0.3713 0.7314 -3.738 -9.472 -4.352 O T2 0.2954 0.9508 0.0647 1.974 -0.256 -3.959 O T2 0.9621 0.2841 0.3980 -3.844 -4.977 -3.213 O T2 0.6287 0.6175 0.7314 -1.053 -9.445 -4.773 O T2 0.6554 0.9508 0.5647 0.066 -6.973 -5.611 O T2 0.3221 0.2841 0.8980 -0.779 -12.004 -3.571 O T2 0.9887 0.6175 0.2314 -2.726 -2.505 -4.052 O T2 0.2954 0.3446 0.5647 -0.348 -7.426 -2.963 O T2 0.9621 0.6779 0.8980 -2.529 -11.583 -5.817 O T2 0.6287 0.0113 0.2314 -3.140 -2.958 -1.404 O T2 0.0492 0.7046 0.5647 2.185 -7.300 -3.941 O T2 0.7159 0.0379 0.8980 -3.633 -12.020 -3.195 O T2 0.3825 0.3713 0.2314 -0.606 -2.832 -2.381 Li T3 0.0000 0.0000 0.2829 -0.066 -3.863 -0.672 Li T3 0.6667 0.3333 0.6162 -2.248 -8.021 -3.526 Li T3 0.3333 0.6667 0.9496 0.544 -12.489 -5.085 Li T3 0.0000 0.0000 0.7829 -0.184 -10.692 -1.858 Li T3 0.6667 0.3333 0.1162 -2.130 -1.193 -2.339 Li T3 0.3333 0.6667 0.4496 0.661 -5.661 -3.898 Li T3 1.0000 0.0000 0.2829 -5.039 -3.553 -1.966 Li T3 1.0000 0.0000 0.7829 -5.157 -10.381 -3.153 Li T3 0.0000 1.0000 0.2829 3.570 -3.300 -4.271 Li T3 0.0000 1.0000 0.7829 3.453 -10.128 -5.458 Li T3 1.0000 1.0000 0.2829 -1.403 -2.990 -5.566 Li T3 1.0000 1.0000 0.7829 -1.520 -9.818 -6.753