#VESTA_FORMAT_VERSION 3.1.9 CRYSTAL TITLE 0.54.RbyFe2-xSe2.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 8.799600 8.799600 14.576200 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Rb Rb1_1 0.5900 0.000000 0.000000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 2 Rb Rb1_2 0.5900 0.500000 0.500000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 3 Rb Rb2_1 0.2400 0.399000 0.803000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 4 Rb Rb2_2 0.2400 0.601000 0.197000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 5 Rb Rb2_3 0.2400 0.197000 0.399000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 6 Rb Rb2_4 0.2400 0.803000 0.601000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 7 Rb Rb2_5 0.2400 0.899000 0.303000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 8 Rb Rb2_6 0.2400 0.101000 0.697000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 9 Rb Rb2_7 0.2400 0.697000 0.899000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 10 Rb Rb2_8 0.2400 0.303000 0.101000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 11 Fe Fe1_1 0.0990 0.000000 0.500000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 12 Fe Fe1_2 0.0990 0.500000 0.000000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 13 Fe Fe1_3 0.0990 0.500000 0.000000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 14 Fe Fe1_4 0.0990 0.000000 0.500000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 15 Fe Fe2_1 1.0000 0.295800 0.592000 0.252400 1a 1 0.000000 0.000000 0.000000 1.00 16 Fe Fe2_2 1.0000 0.704200 0.408000 0.252400 1a 1 0.000000 0.000000 0.000000 1.00 17 Fe Fe2_3 1.0000 0.408000 0.295800 0.252400 1a 1 0.000000 0.000000 0.000000 1.00 18 Fe Fe2_4 1.0000 0.592000 0.704200 0.252400 1a 1 0.000000 0.000000 0.000000 1.00 19 Fe Fe2_5 1.0000 0.795800 0.092000 0.752400 1a 1 0.000000 0.000000 0.000000 1.00 20 Fe Fe2_6 1.0000 0.204200 0.908000 0.752400 1a 1 0.000000 0.000000 0.000000 1.00 21 Fe Fe2_7 1.0000 0.908000 0.795800 0.752400 1a 1 0.000000 0.000000 0.000000 1.00 22 Fe Fe2_8 1.0000 0.092000 0.204200 0.752400 1a 1 0.000000 0.000000 0.000000 1.00 23 Fe Fe2_9 1.0000 0.704200 0.408000 0.747600 1a 1 0.000000 0.000000 0.000000 1.00 24 Fe Fe2_10 1.0000 0.408000 0.295800 0.747600 1a 1 0.000000 0.000000 0.000000 1.00 25 Fe Fe2_11 1.0000 0.592000 0.704200 0.747600 1a 1 0.000000 0.000000 0.000000 1.00 26 Fe Fe2_12 1.0000 0.295800 0.592000 0.747600 1a 1 0.000000 0.000000 0.000000 1.00 27 Fe Fe2_13 1.0000 0.204200 0.908000 0.247600 1a 1 0.000000 0.000000 0.000000 1.00 28 Fe Fe2_14 1.0000 0.908000 0.795800 0.247600 1a 1 0.000000 0.000000 0.000000 1.00 29 Fe Fe2_15 1.0000 0.092000 0.204200 0.247600 1a 1 0.000000 0.000000 0.000000 1.00 30 Fe Fe2_16 1.0000 0.795800 0.092000 0.247600 1a 1 0.000000 0.000000 0.000000 1.00 31 Se Se1_1 1.0000 0.388000 0.794000 0.649500 1a 1 0.000000 0.000000 0.000000 1.00 32 Se Se1_2 1.0000 0.612000 0.206000 0.649500 1a 1 0.000000 0.000000 0.000000 1.00 33 Se Se1_3 1.0000 0.206000 0.388000 0.649500 1a 1 0.000000 0.000000 0.000000 1.00 34 Se Se1_4 1.0000 0.794000 0.612000 0.649500 1a 1 0.000000 0.000000 0.000000 1.00 35 Se Se1_5 1.0000 0.888000 0.294000 0.149500 1a 1 0.000000 0.000000 0.000000 1.00 36 Se Se1_6 1.0000 0.112000 0.706000 0.149500 1a 1 0.000000 0.000000 0.000000 1.00 37 Se Se1_7 1.0000 0.706000 0.888000 0.149500 1a 1 0.000000 0.000000 0.000000 1.00 38 Se Se1_8 1.0000 0.294000 0.112000 0.149500 1a 1 0.000000 0.000000 0.000000 1.00 39 Se Se1_9 1.0000 0.612000 0.206000 0.350500 1a 1 0.000000 0.000000 0.000000 1.00 40 Se Se1_10 1.0000 0.206000 0.388000 0.350500 1a 1 0.000000 0.000000 0.000000 1.00 41 Se Se1_11 1.0000 0.794000 0.612000 0.350500 1a 1 0.000000 0.000000 0.000000 1.00 42 Se Se1_12 1.0000 0.388000 0.794000 0.350500 1a 1 0.000000 0.000000 0.000000 1.00 43 Se Se1_13 1.0000 0.112000 0.706000 0.850500 1a 1 0.000000 0.000000 0.000000 1.00 44 Se Se1_14 1.0000 0.706000 0.888000 0.850500 1a 1 0.000000 0.000000 0.000000 1.00 45 Se Se1_15 1.0000 0.294000 0.112000 0.850500 1a 1 0.000000 0.000000 0.000000 1.00 46 Se Se1_16 1.0000 0.888000 0.294000 0.850500 1a 1 0.000000 0.000000 0.000000 1.00 47 Se Se2_1 1.0000 0.000000 0.000000 0.645000 1a 1 0.000000 0.000000 0.000000 1.00 48 Se Se2_2 1.0000 0.500000 0.500000 0.145000 1a 1 0.000000 0.000000 0.000000 1.00 49 Se Se2_3 1.0000 0.000000 0.000000 0.355000 1a 1 0.000000 0.000000 0.000000 1.00 50 Se Se2_4 1.0000 0.500000 0.500000 0.855000 1a 1 0.000000 0.000000 0.000000 1.00 0 0 0 0 0 0 0 THERI 0 1 Rb1_1 1.000000 2 Rb1_2 1.000000 3 Rb2_1 1.000000 4 Rb2_2 1.000000 5 Rb2_3 1.000000 6 Rb2_4 1.000000 7 Rb2_5 1.000000 8 Rb2_6 1.000000 9 Rb2_7 1.000000 10 Rb2_8 1.000000 11 Fe1_1 1.000000 12 Fe1_2 1.000000 13 Fe1_3 1.000000 14 Fe1_4 1.000000 15 Fe2_1 1.000000 16 Fe2_2 1.000000 17 Fe2_3 1.000000 18 Fe2_4 1.000000 19 Fe2_5 1.000000 20 Fe2_6 1.000000 21 Fe2_7 1.000000 22 Fe2_8 1.000000 23 Fe2_9 1.000000 24 Fe2_10 1.000000 25 Fe2_11 1.000000 26 Fe2_12 1.000000 27 Fe2_13 1.000000 28 Fe2_14 1.000000 29 Fe2_15 1.000000 30 Fe2_16 1.000000 31 Se1_1 1.000000 32 Se1_2 1.000000 33 Se1_3 1.000000 34 Se1_4 1.000000 35 Se1_5 1.000000 36 Se1_6 1.000000 37 Se1_7 1.000000 38 Se1_8 1.000000 39 Se1_9 1.000000 40 Se1_10 1.000000 41 Se1_11 1.000000 42 Se1_12 1.000000 43 Se1_13 1.000000 44 Se1_14 1.000000 45 Se1_15 1.000000 46 Se1_16 1.000000 47 Se2_1 1.000000 48 Se2_2 1.000000 49 Se2_3 1.000000 50 Se2_4 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 0 0 0 0 SITET 1 Rb1_1 1.4000 255 0 153 255 0 153 46 0 2 Rb1_2 1.4000 255 0 153 255 0 153 46 0 3 Rb2_1 1.4000 255 0 153 255 0 153 46 0 4 Rb2_2 1.4000 255 0 153 255 0 153 46 0 5 Rb2_3 1.4000 255 0 153 255 0 153 46 0 6 Rb2_4 1.4000 255 0 153 255 0 153 46 0 7 Rb2_5 1.4000 255 0 153 255 0 153 46 0 8 Rb2_6 1.4000 255 0 153 255 0 153 46 0 9 Rb2_7 1.4000 255 0 153 255 0 153 46 0 10 Rb2_8 1.4000 255 0 153 255 0 153 46 0 11 Fe1_1 1.2600 181 113 0 181 113 0 46 0 12 Fe1_2 1.2600 181 113 0 181 113 0 46 0 13 Fe1_3 1.2600 181 113 0 181 113 0 46 0 14 Fe1_4 1.2600 181 113 0 181 113 0 46 0 15 Fe2_1 1.2600 181 113 0 181 113 0 46 0 16 Fe2_2 1.2600 181 113 0 181 113 0 46 0 17 Fe2_3 1.2600 181 113 0 181 113 0 46 0 18 Fe2_4 1.2600 181 113 0 181 113 0 46 0 19 Fe2_5 1.2600 181 113 0 181 113 0 46 0 20 Fe2_6 1.2600 181 113 0 181 113 0 46 0 21 Fe2_7 1.2600 181 113 0 181 113 0 46 0 22 Fe2_8 1.2600 181 113 0 181 113 0 46 0 23 Fe2_9 1.2600 181 113 0 181 113 0 46 0 24 Fe2_10 1.2600 181 113 0 181 113 0 46 0 25 Fe2_11 1.2600 181 113 0 181 113 0 46 0 26 Fe2_12 1.2600 181 113 0 181 113 0 46 0 27 Fe2_13 1.2600 181 113 0 181 113 0 46 0 28 Fe2_14 1.2600 181 113 0 181 113 0 46 0 29 Fe2_15 1.2600 181 113 0 181 113 0 46 0 30 Fe2_16 1.2600 181 113 0 181 113 0 46 0 31 Se1_1 1.0400 154 239 15 154 239 15 46 0 32 Se1_2 1.0400 154 239 15 154 239 15 46 0 33 Se1_3 1.0400 154 239 15 154 239 15 46 0 34 Se1_4 1.0400 154 239 15 154 239 15 46 0 35 Se1_5 1.0400 154 239 15 154 239 15 46 0 36 Se1_6 1.0400 154 239 15 154 239 15 46 0 37 Se1_7 1.0400 154 239 15 154 239 15 46 0 38 Se1_8 1.0400 154 239 15 154 239 15 46 0 39 Se1_9 1.0400 154 239 15 154 239 15 46 0 40 Se1_10 1.0400 154 239 15 154 239 15 46 0 41 Se1_11 1.0400 154 239 15 154 239 15 46 0 42 Se1_12 1.0400 154 239 15 154 239 15 46 0 43 Se1_13 1.0400 154 239 15 154 239 15 46 0 44 Se1_14 1.0400 154 239 15 154 239 15 46 0 45 Se1_15 1.0400 154 239 15 154 239 15 46 0 46 Se1_16 1.0400 154 239 15 154 239 15 46 0 47 Se2_1 1.0400 154 239 15 154 239 15 46 0 48 Se2_2 1.0400 154 239 15 154 239 15 46 0 49 Se2_3 1.0400 154 239 15 154 239 15 46 0 50 Se2_4 1.0400 154 239 15 154 239 15 46 0 0 0 0 0 0 0 VECTR 1 0.00000 0.00000 1.80000 0 15 0 0 0 0 0 0 0 0 0 2 0.00000 0.00000 1.80000 0 16 0 0 0 0 0 0 0 0 0 3 0.00000 0.00000 1.80000 0 17 0 0 0 0 0 0 0 0 0 4 0.00000 0.00000 1.80000 0 18 0 0 0 0 0 0 0 0 0 5 0.00000 0.00000 1.80000 0 19 0 0 0 0 0 0 0 0 0 6 0.00000 0.00000 1.80000 0 20 0 0 0 0 0 0 0 0 0 7 0.00000 0.00000 1.80000 0 21 0 0 0 0 0 0 0 0 0 8 0.00000 0.00000 1.80000 0 22 0 0 0 0 0 0 0 0 0 9 0.00000 0.00000 -1.80000 0 23 0 0 0 0 0 0 0 0 0 10 0.00000 0.00000 -1.80000 0 24 0 0 0 0 0 0 0 0 0 11 0.00000 0.00000 -1.80000 0 25 0 0 0 0 0 0 0 0 0 12 0.00000 0.00000 -1.80000 0 26 0 0 0 0 0 0 0 0 0 13 0.00000 0.00000 -1.80000 0 27 0 0 0 0 0 0 0 0 0 14 0.00000 0.00000 -1.80000 0 28 0 0 0 0 0 0 0 0 0 15 0.00000 0.00000 -1.80000 0 29 0 0 0 0 0 0 0 0 0 16 0.00000 0.00000 -1.80000 0 30 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 7 0.500 255 0 0 1 8 0.500 255 0 0 1 9 0.500 255 0 0 1 10 0.500 255 0 0 1 11 0.500 255 0 0 1 12 0.500 255 0 0 1 13 0.500 255 0 0 1 14 0.500 255 0 0 1 15 0.500 255 0 0 1 16 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 0.543357 -0.839172 0.023525 0.000000 0.099312 0.092079 0.990787 0.000000 -0.833607 -0.536015 0.133372 0.000000 0.000000 0.000000 0.000000 1.000000 0.000 0.000 0.000 1.100 HBOND 0 2 STYLE DISPF 16479 MODEL 0 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 46 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 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