#VESTA_FORMAT_VERSION 3.3.0 MAGNETIC_CRYSTAL TITLE 5yOhtAoR GROUP 1 1 Custom PSPGR 139 1 I 4/m m 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 0.500000 0.500000 0.500000 1 0 0 0 -1 0 0 0 -1 1 0.500000 0.500000 0.000000 -1 0 0 0 -1 0 0 0 1 1 0.500000 0.000000 0.750000 0 -1 0 1 0 0 0 0 -1 1 0.000000 0.500000 0.750000 0 1 0 -1 0 0 0 0 -1 1 0.000000 0.500000 0.750000 0 -1 0 -1 0 0 0 0 1 1 0.500000 0.000000 0.750000 0 1 0 1 0 0 0 0 1 1 0.500000 0.500000 0.500000 1 0 0 0 1 0 0 0 1 1 -0.500000 0.500000 0.000000 -1 0 0 0 1 0 0 0 -1 1 1.000000 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 0.500000 0.250000 0 -1 0 1 0 0 0 0 -1 1 0.500000 0.000000 0.250000 0 1 0 -1 0 0 0 0 -1 1 -0.500000 0.000000 1.250000 0 -1 0 -1 0 0 0 0 1 1 1.000000 0.500000 1.250000 0 1 0 1 0 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 0.500000 0.500000 0.000000 1 0 0 0 -1 0 0 0 -1 -1 0.500000 0.500000 0.500000 -1 0 0 0 -1 0 0 0 1 -1 0.500000 0.000000 0.250000 0 -1 0 1 0 0 0 0 -1 -1 0.000000 0.500000 0.250000 0 1 0 -1 0 0 0 0 -1 -1 0.000000 0.500000 1.250000 0 -1 0 -1 0 0 0 0 1 -1 0.500000 0.000000 1.250000 0 1 0 1 0 0 0 0 1 -1 0.500000 0.500000 0.000000 1 0 0 0 1 0 0 0 1 -1 -0.500000 0.500000 0.500000 -1 0 0 0 1 0 0 0 -1 -1 1.000000 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 0.500000 0.750000 0 -1 0 1 0 0 0 0 -1 -1 0.500000 0.000000 0.750000 0 1 0 -1 0 0 0 0 -1 -1 -0.500000 0.000000 0.750000 0 -1 0 -1 0 0 0 0 1 -1 1.000000 0.500000 0.750000 0 1 0 1 0 0 0 0 1 -1 -1.0 -1.0 -1.0 0 0 0 0 0 0 0 0 0 TRANM 0 0.250000 -0.250000 -0.375000 0 1 0 -1 0 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 5.614300 5.614300 37.578999 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Sr Sr1 1.0000 0.000000 0.000000 0.205700 16 - 0.000000 0.000000 0.000000 0.00 2 Cu Cu1 1.0000 0.000000 0.000000 0.000000 8 - 0.000000 0.000000 0.000000 0.00 3 O O1 1.0000 0.750000 0.250000 0.000000 16 - 0.000000 0.000000 0.000000 0.00 4 Cu Cu2_1 1.0000 0.750000 0.250000 0.125000 8 - 0.000000 0.000000 0.000000 0.00 5 Cu Cu2_2 1.0000 0.250000 0.250000 0.125000 8 - 0.000000 0.000000 0.000000 0.00 6 Se Se1 1.0000 0.000000 0.000000 0.084250 16 - 0.000000 0.000000 0.000000 0.00 0 0 0 0 0 0 0 THERI 0 1 Sr1 1.000000 2 Cu1 1.000000 3 O1 1.000000 4 Cu2_1 1.000000 5 Cu2_2 1.000000 6 Se1 1.000000 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 SBOND 1 Cu O 0.00000 2.47295 0 1 1 0 0 0.250 2.000 127 127 127 2 Cu Se 0.00000 2.76295 0 1 1 0 0 0.250 2.000 127 127 127 0 0 0 0 SITET 1 Sr1 1.3000 0 255 38 0 255 38 204 0 2 Cu1 1.2800 34 71 220 34 71 220 204 0 3 O1 0.6000 254 3 0 254 3 0 204 0 4 Cu2_1 1.2800 34 71 220 34 71 220 204 0 5 Cu2_2 1.2800 34 71 220 34 71 220 204 0 6 Se1 0.8000 154 187 179 154 239 15 204 0 0 0 0 0 0 0 VECTR 1 0.39000 0.00000 0.00000 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 VECTT 1 0.500 255 0 0 1 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 Sr 1.3000 0 255 38 0 255 38 204 2 Cu 1.2800 34 71 220 34 71 220 204 3 O 0.6000 254 3 0 254 3 0 204 4 Se 0.8000 154 187 179 154 239 15 204 0 0 0 0 0 0 SCENE -0.455546 0.890177 -0.007922 0.000000 -0.281532 -0.135620 0.949919 0.000000 0.844522 0.434962 0.312394 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 0.962 HBOND 0 2 STYLE DISPF 37753794 MODEL 0 1 0 SURFS 0 1 1 SECTS 96 1 FORMS 0 1 ATOMS 0 0 1 BONDS 0 POLYS 1 VECTS 5.000000 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 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