#VESTA_FORMAT_VERSION 3.3.0 MAGNETIC_CRYSTAL TITLE 5yOhtAoR GROUP 15 90 C_c2/c PSPGR 12 1 I 2/m SYMOP 0.000000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 1 0.000000 0.000000 0.500000 -1 0 0 0 1 0 0 0 -1 1 0.000000 0.000000 0.000000 -1 0 0 0 -1 0 0 0 -1 1 0.000000 0.000000 0.500000 1 0 0 0 -1 0 0 0 1 1 0.000000 0.000000 0.500000 1 0 0 0 1 0 0 0 1 -1 0.000000 0.000000 0.000000 -1 0 0 0 1 0 0 0 -1 -1 0.000000 0.000000 0.500000 -1 0 0 0 -1 0 0 0 -1 -1 0.000000 0.000000 0.000000 1 0 0 0 -1 0 0 0 1 -1 0.250000 0.500000 0.250000 1 0 0 0 1 0 0 0 1 1 0.250000 0.500000 0.750000 -1 0 0 0 1 0 0 0 -1 1 0.250000 0.500000 0.250000 -1 0 0 0 -1 0 0 0 -1 1 0.250000 0.500000 0.750000 1 0 0 0 -1 0 0 0 1 1 0.250000 0.500000 0.750000 1 0 0 0 1 0 0 0 1 -1 0.250000 0.500000 0.250000 -1 0 0 0 1 0 0 0 -1 -1 0.250000 0.500000 0.750000 -1 0 0 0 -1 0 0 0 -1 -1 0.250000 0.500000 0.250000 1 0 0 0 -1 0 0 0 1 -1 0.500000 0.000000 0.500000 1 0 0 0 1 0 0 0 1 1 0.500000 0.000000 0.000000 -1 0 0 0 1 0 0 0 -1 1 0.500000 0.000000 0.500000 -1 0 0 0 -1 0 0 0 -1 1 0.500000 0.000000 0.000000 1 0 0 0 -1 0 0 0 1 1 0.500000 0.000000 0.000000 1 0 0 0 1 0 0 0 1 -1 0.500000 0.000000 0.500000 -1 0 0 0 1 0 0 0 -1 -1 0.500000 0.000000 0.000000 -1 0 0 0 -1 0 0 0 -1 -1 0.500000 0.000000 0.500000 1 0 0 0 -1 0 0 0 1 -1 0.750000 0.500000 0.750000 1 0 0 0 1 0 0 0 1 1 0.750000 0.500000 0.250000 -1 0 0 0 1 0 0 0 -1 1 0.750000 0.500000 0.750000 -1 0 0 0 -1 0 0 0 -1 1 0.750000 0.500000 0.250000 1 0 0 0 -1 0 0 0 1 1 0.750000 0.500000 0.250000 1 0 0 0 1 0 0 0 1 -1 0.750000 0.500000 0.750000 -1 0 0 0 1 0 0 0 -1 -1 0.750000 0.500000 0.250000 -1 0 0 0 -1 0 0 0 -1 -1 0.750000 0.500000 0.750000 1 0 0 0 -1 0 0 0 1 -1 -1.0 -1.0 -1.0 0 0 0 0 0 0 0 0 0 TRANM 1 -0.000000 -0.000000 -0.000000 2 0 -1 0 1 0 0 0 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 CELLP 12.498400 3.573100 23.864799 90.000000 89.580002 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Fe Fe1 0.8820 0.000000 0.000000 0.000000 8c 2'/m' 0.000000 0.000000 0.000000 0.00 2 Ti Ti1 0.0780 0.000000 0.000000 0.000000 8c 2'/m' 0.000000 0.000000 0.000000 0.00 3 Ti Ti2 0.9610 0.007650 0.000000 0.125200 16i m' 0.000000 0.000000 0.000000 0.00 4 Fe Fe2 0.0390 0.007650 0.000000 0.125200 16i m' 0.000000 0.000000 0.000000 0.00 5 Se Se1 1.0000 0.334250 0.000000 0.186250 16i m' 0.000000 0.000000 0.000000 0.00 6 Se Se2 1.0000 0.169450 0.000000 0.058000 16i m' 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 0 1 Fe1 1.000000 2 Ti1 1.000000 3 Ti2 1.000000 4 Fe2 1.000000 5 Se1 1.000000 6 Se2 1.000000 0 0 0 SHAPE 0 0 0 0 0.000000 0 192 192 192 192 BOUND -0.1 1.1 -0.1 1.1 0 1 0 0 0 0 0 SBOND 1 Ti Se 0.00000 3.00000 0 1 1 0 1 0.250 2.000 127 127 127 0 0 0 0 SITET 1 Fe1 1.2600 181 113 0 181 113 0 40 0 2 Ti1 1.0000 120 202 255 120 202 255 40 0 3 Ti2 1.0000 120 202 255 120 202 255 40 0 4 Fe2 1.2600 181 113 0 181 113 0 40 0 5 Se1 0.8000 154 239 15 154 239 15 40 0 6 Se2 0.8000 154 239 15 154 239 15 40 0 0 0 0 0 0 0 VECTR 1 0.00000 0.00000 3.05000 0 1 0 0 0 0 0 0 0 0 0 2 0.00000 0.00000 -0.31000 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 VECTT 1 0.500 255 0 0 1 2 0.500 255 0 0 3 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 Fe 1.2600 181 113 0 181 113 0 40 2 Ti 1.0000 120 202 255 120 202 255 40 3 Se 0.8000 154 239 15 154 239 15 40 0 0 0 0 0 0 SCENE 0.938210 0.345915 -0.010282 0.000000 -0.040180 0.138393 0.989562 0.000000 0.343727 -0.928003 0.143740 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 2 1 0 SURFS 0 1 1 SECTS 96 1 FORMS 0 1 ATOMS 0 0 1 BONDS 1 POLYS 2 VECTS 0.600000 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 40 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 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 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