#VESTA_FORMAT_VERSION 3.1.9 CRYSTAL TITLE bcs_file_Cc'.mcif -- in P1.1 GROUP 1 1 P 1 SYMOP 0.000000 0.000000 0.000000 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 0.000000 0.000000 0.000000 1 0 0 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 5.187800 5.187800 13.679100 90.000000 90.000000 120.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Mn Mn1_1 1.0000 0.000000 0.000000 0.284000 1a 1 0.000000 0.000000 0.000000 1.00 2 Mn Mn1_2 1.0000 0.333333 0.666667 0.950667 1a 1 0.000000 0.000000 0.000000 1.00 3 Mn Mn1_3 1.0000 0.666667 0.333333 0.617333 1a 1 0.000000 0.000000 0.000000 1.00 4 Mn Mn1_4 1.0000 0.000000 0.000000 0.784000 1a 1 0.000000 0.000000 0.000000 1.00 5 Mn Mn1_5 1.0000 0.333333 0.666667 0.450667 1a 1 0.000000 0.000000 0.000000 1.00 6 Mn Mn1_6 1.0000 0.666667 0.333333 0.117333 1a 1 0.000000 0.000000 0.000000 1.00 7 Ti Ti1_1 1.0000 0.000000 0.000000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 8 Ti Ti1_2 1.0000 0.333333 0.666667 0.666667 1a 1 0.000000 0.000000 0.000000 1.00 9 Ti Ti1_3 1.0000 0.666667 0.333333 0.333333 1a 1 0.000000 0.000000 0.000000 1.00 10 Ti Ti1_4 1.0000 0.000000 0.000000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 11 Ti Ti1_5 1.0000 0.333333 0.666667 0.166667 1a 1 0.000000 0.000000 0.000000 1.00 12 Ti Ti1_6 1.0000 0.666667 0.333333 0.833333 1a 1 0.000000 0.000000 0.000000 1.00 13 O O1_1_1 1.0000 0.060200 0.337000 0.068000 1a 1 0.000000 0.000000 0.000000 1.00 14 O O1_1_2 1.0000 0.393533 0.003667 0.734667 1a 1 0.000000 0.000000 0.000000 1.00 15 O O1_1_3 1.0000 0.726867 0.670333 0.401333 1a 1 0.000000 0.000000 0.000000 1.00 16 O O1_1_4 1.0000 0.276800 0.337000 0.568000 1a 1 0.000000 0.000000 0.000000 1.00 17 O O1_1_5 1.0000 0.610133 0.003667 0.234667 1a 1 0.000000 0.000000 0.000000 1.00 18 O O1_1_6 1.0000 0.943467 0.670333 0.901333 1a 1 0.000000 0.000000 0.000000 1.00 19 O O1_2_1 1.0000 0.663000 0.723200 0.068000 1a 1 0.000000 0.000000 0.000000 1.00 20 O O1_2_2 1.0000 0.996333 0.389867 0.734667 1a 1 0.000000 0.000000 0.000000 1.00 21 O O1_2_3 1.0000 0.329667 0.056533 0.401333 1a 1 0.000000 0.000000 0.000000 1.00 22 O O1_2_4 1.0000 0.060200 0.723200 0.568000 1a 1 0.000000 0.000000 0.000000 1.00 23 O O1_2_5 1.0000 0.393533 0.389867 0.234667 1a 1 0.000000 0.000000 0.000000 1.00 24 O O1_2_6 1.0000 0.726867 0.056533 0.901333 1a 1 0.000000 0.000000 0.000000 1.00 25 O O1_3_1 1.0000 0.276800 0.939800 0.068000 1a 1 0.000000 0.000000 0.000000 1.00 26 O O1_3_2 1.0000 0.610133 0.606467 0.734667 1a 1 0.000000 0.000000 0.000000 1.00 27 O O1_3_3 1.0000 0.943467 0.273133 0.401333 1a 1 0.000000 0.000000 0.000000 1.00 28 O O1_3_4 1.0000 0.663000 0.939800 0.568000 1a 1 0.000000 0.000000 0.000000 1.00 29 O O1_3_5 1.0000 0.996333 0.606467 0.234667 1a 1 0.000000 0.000000 0.000000 1.00 30 O O1_3_6 1.0000 0.329667 0.273133 0.901333 1a 1 0.000000 0.000000 0.000000 1.00 0 0 0 0 0 0 0 THERI 0 1 Mn1_1 1.000000 2 Mn1_2 1.000000 3 Mn1_3 1.000000 4 Mn1_4 1.000000 5 Mn1_5 1.000000 6 Mn1_6 1.000000 7 Ti1_1 1.000000 8 Ti1_2 1.000000 9 Ti1_3 1.000000 10 Ti1_4 1.000000 11 Ti1_5 1.000000 12 Ti1_6 1.000000 13 O1_1_1 1.000000 14 O1_1_2 1.000000 15 O1_1_3 1.000000 16 O1_1_4 1.000000 17 O1_1_5 1.000000 18 O1_1_6 1.000000 19 O1_2_1 1.000000 20 O1_2_2 1.000000 21 O1_2_3 1.000000 22 O1_2_4 1.000000 23 O1_2_5 1.000000 24 O1_2_6 1.000000 25 O1_3_1 1.000000 26 O1_3_2 1.000000 27 O1_3_3 1.000000 28 O1_3_4 1.000000 29 O1_3_5 1.000000 30 O1_3_6 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 Mn O 0.00000 3.00000 0 1 1 0 1 0.250 1.000 180 180 180 2 Ti O 0.00000 3.00000 0 1 1 0 1 0.250 1.000 180 180 180 0 0 0 0 SITET 1 Mn1_1 1.3700 168 8 158 168 8 158 15 0 2 Mn1_2 1.3700 168 8 158 168 8 158 15 0 3 Mn1_3 1.3700 168 8 158 168 8 158 15 0 4 Mn1_4 1.3700 168 8 158 168 8 158 15 0 5 Mn1_5 1.3700 168 8 158 168 8 158 15 0 6 Mn1_6 1.3700 168 8 158 168 8 158 15 0 7 Ti1_1 1.0000 120 202 255 120 202 255 15 0 8 Ti1_2 1.0000 120 202 255 120 202 255 15 0 9 Ti1_3 1.0000 120 202 255 120 202 255 15 0 10 Ti1_4 1.0000 120 202 255 120 202 255 15 0 11 Ti1_5 1.0000 120 202 255 120 202 255 15 0 12 Ti1_6 1.0000 120 202 255 120 202 255 15 0 13 O1_1_1 0.3000 254 3 0 254 3 0 15 0 14 O1_1_2 0.3000 254 3 0 254 3 0 15 0 15 O1_1_3 0.3000 254 3 0 254 3 0 15 0 16 O1_1_4 0.3000 254 3 0 254 3 0 15 0 17 O1_1_5 0.3000 254 3 0 254 3 0 15 0 18 O1_1_6 0.3000 254 3 0 254 3 0 15 0 19 O1_2_1 0.3000 254 3 0 254 3 0 15 0 20 O1_2_2 0.3000 254 3 0 254 3 0 15 0 21 O1_2_3 0.3000 254 3 0 254 3 0 15 0 22 O1_2_4 0.3000 254 3 0 254 3 0 15 0 23 O1_2_5 0.3000 254 3 0 254 3 0 15 0 24 O1_2_6 0.3000 254 3 0 254 3 0 15 0 25 O1_3_1 0.3000 254 3 0 254 3 0 15 0 26 O1_3_2 0.3000 254 3 0 254 3 0 15 0 27 O1_3_3 0.3000 254 3 0 254 3 0 15 0 28 O1_3_4 0.3000 254 3 0 254 3 0 15 0 29 O1_3_5 0.3000 254 3 0 254 3 0 15 0 30 O1_3_6 0.3000 254 3 0 254 3 0 15 0 0 0 0 0 0 0 VECTR 1 1.45000 0.00000 0.00000 0 1 0 0 0 0 0 0 0 0 0 2 1.45000 0.00000 0.00000 0 2 0 0 0 0 0 0 0 0 0 3 1.45000 0.00000 0.00000 0 3 0 0 0 0 0 0 0 0 0 4 -1.45000 0.00000 0.00000 0 4 0 0 0 0 0 0 0 0 0 5 -1.45000 0.00000 0.00000 0 5 0 0 0 0 0 0 0 0 0 6 -1.45000 0.00000 0.00000 0 6 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 1 3 0.500 255 0 0 1 4 0.500 255 0 0 1 5 0.500 255 0 0 1 6 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 0 0 0 0 0 0 SCENE 0.872240 0.488510 0.023556 0.000000 -0.067873 0.073209 0.995004 0.000000 0.484345 -0.869482 0.097013 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 1.000 HBOND 0 2 STYLE DISPF 16479 MODEL 2 1 0 SURFS 0 1 1 SECTS 96 1 FORMS 0 1 ATOMS 0 0 BONDS 1 POLYS 2 FORMP 1 1.0 0 0 0 ATOMP 24 24 0 50 2.0 0 BONDP 1 16 0.250 1.000 180 180 180 POLYP 15 1 1.000 34 34 34 TEX3P 1 0.00000E+00 1.00000E+00 SECTP 1 5.00000E-01 5.00000E-01 0.00000E+00 HKLPP 192 1 1.000 255 0 255 UCOLP 0 1 2.500 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