#VESTA_FORMAT_VERSION 3.5.4 CRYSTAL TITLE New structure GROUP 194 1 P 63/m m c SYMOP 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 -1 0 0 0 -1 0 0 0 -1 1 0 0 0 0 -1 0 1 -1 0 0 0 1 1 0 0 0 0 1 0 -1 1 0 0 0 -1 1 0 0 0 -1 1 0 -1 0 0 0 0 1 1 0 0 0 1 -1 0 1 0 0 0 0 -1 1 0 0 0.5 -1 0 0 0 -1 0 0 0 1 1 0 0 0.5 1 0 0 0 1 0 0 0 -1 1 0 0 0.5 0 1 0 -1 1 0 0 0 1 1 0 0 0.5 0 -1 0 1 -1 0 0 0 -1 1 0 0 0.5 1 -1 0 1 0 0 0 0 1 1 0 0 0.5 -1 1 0 -1 0 0 0 0 -1 1 0 0 0 0 1 0 1 0 0 0 0 -1 1 0 0 0 0 -1 0 -1 0 0 0 0 1 1 0 0 0 1 -1 0 0 -1 0 0 0 -1 1 0 0 0 -1 1 0 0 1 0 0 0 1 1 0 0 0 -1 0 0 -1 1 0 0 0 -1 1 0 0 0 1 0 0 1 -1 0 0 0 1 1 0 0 0.5 0 -1 0 -1 0 0 0 0 -1 1 0 0 0.5 0 1 0 1 0 0 0 0 1 1 0 0 0.5 -1 1 0 0 1 0 0 0 -1 1 0 0 0.5 1 -1 0 0 -1 0 0 0 1 1 0 0 0.5 1 0 0 1 -1 0 0 0 -1 1 0 0 0.5 -1 0 0 -1 1 0 0 0 1 1 -1.0 -1.0 -1.0 1 0 0 0 0 0 0 0 0 TRANM 0 0 0 0 1 0 0 0 1 0 0 0 1 1 LTRANSL -1 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 LORIENT -1 0 0 0 0 1.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 1.000000 LMATRIX 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 PHASON 1.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 1.000000 CELLP 3.060000 3.060000 18.559999 90.000000 90.000000 120.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 C XX 1.0000 0.666667 0.333333 0.067300 4f 3m. 0.000000 0.000000 0.000000 0.00 2 Ti XX 1.0000 0.000000 0.000000 0.000000 2a -3m. 0.000000 0.000000 0.000000 0.00 3 Ti XX 1.0000 0.333333 0.666667 0.134600 4f 3m. 0.000000 0.000000 0.000000 0.00 4 Al XX 1.0000 0.000000 0.000000 0.250000 2b -6m2 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 1 1 XX -0.000000 2 XX -0.000000 3 XX -0.000000 4 XX -0.000000 0 0 0 SHAPE 0 0 0 0 0.000000 0 192 192 192 192 BOUND 0 1 0 1 0 1 0 0 0 0 0 QCORIG 0 0 0 SBOND 0 0 0 0 SITET 1 XX 0.7700 128 73 41 128 73 41 204 0 2 XX 1.4700 120 202 255 120 202 255 204 0 3 XX 1.4700 120 202 255 120 202 255 204 0 4 XX 1.4300 129 178 214 129 178 214 204 0 0 0 0 0 0 0 VECTR 0 0 0 0 0 VECTT 0 0 0 0 0 SPLAN 0 0 0 0 LBLAT -1 LBLSP -1 DLATM -1 DLBND -1 DLPLY -1 PLN2D 0 0 0 0 ATOMT 1 C 0.7700 128 73 41 128 73 41 204 2 Ti 1.4700 120 202 255 120 202 255 204 3 Al 1.4300 129 178 214 129 178 214 204 0 0 0 0 0 0 SCENE -0.748203 0.663470 -0.000000 0.000000 -0.109074 -0.123004 0.986394 0.000000 0.654443 0.738023 0.164399 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 1.000 HBOND 0 2 STYLE DISPF 37753794 MODEL 0 1 0 SURFS 0 1 1 SECTS 32 1 FORMS 0 1 ATOMS 0 0 1 BONDS 1 POLYS 1 VECTS 1.000000 FORMP 1 1.0 0 0 0 ATOMP 24 24 0 50 2.0 0 BONDP 1 16 0.250 2.000 127 127 127 POLYP 204 1 1.000 180 180 180 ISURF 0 0 0 0 TEX3P 1 0.00000E+00 1.00000E+00 SECTP 1 0.00000E+00 1.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 CONTR 0.1 -1 1 1 10 -1 2 5 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 HKLPP 192 1 1.000 255 0 255 UCOLP 0 1 1.000 0 0 0 COMPS 1 LABEL 1 12 1.000 0 PROJT 0 0.962 BKGRC 255 255 255 DPTHQ 1 -0.5000 3.5000 LIGHT0 1 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 26 26 26 255 179 179 179 255 255 255 255 255 LIGHT1 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 LIGHT2 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 LIGHT3 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 20.000000 0.000000 0.000000 0.000000 -1.000000 0 0 0 0 0 0 0 0 0 0 0 0 SECCL 0 TEXCL 0 ATOMM 204 204 204 255 25.600 BONDM 255 255 255 255 128.000 POLYM 255 255 255 255 128.000 SURFM 0 0 0 255 128.000 FORMM 255 255 255 255 128.000 HKLPM 255 255 255 255 128.000