#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 Fe Fe1_1 0.0990 0.000000 0.500000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 2 Fe Fe1_2 0.0990 0.500000 0.000000 0.250000 1a 1 0.000000 0.000000 0.000000 1.00 3 Fe Fe1_3 0.0990 0.500000 0.000000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 4 Fe Fe1_4 0.0990 0.000000 0.500000 0.750000 1a 1 0.000000 0.000000 0.000000 1.00 5 Fe Fe2_1 1.0000 0.295800 0.592000 0.252400 1a 1 0.000000 0.000000 0.000000 1.00 6 Fe Fe2_2 1.0000 0.704200 0.408000 0.252400 1a 1 0.000000 0.000000 0.000000 1.00 7 Fe Fe2_3 1.0000 0.408000 0.295800 0.252400 1a 1 0.000000 0.000000 0.000000 1.00 8 Fe Fe2_4 1.0000 0.592000 0.704200 0.252400 1a 1 0.000000 0.000000 0.000000 1.00 9 Fe Fe2_5 1.0000 0.795800 0.092000 0.752400 1a 1 0.000000 0.000000 0.000000 1.00 10 Fe Fe2_6 1.0000 0.204200 0.908000 0.752400 1a 1 0.000000 0.000000 0.000000 1.00 11 Fe Fe2_7 1.0000 0.908000 0.795800 0.752400 1a 1 0.000000 0.000000 0.000000 1.00 12 Fe Fe2_8 1.0000 0.092000 0.204200 0.752400 1a 1 0.000000 0.000000 0.000000 1.00 13 Fe Fe2_9 1.0000 0.704200 0.408000 0.747600 1a 1 0.000000 0.000000 0.000000 1.00 14 Fe Fe2_10 1.0000 0.408000 0.295800 0.747600 1a 1 0.000000 0.000000 0.000000 1.00 15 Fe Fe2_11 1.0000 0.592000 0.704200 0.747600 1a 1 0.000000 0.000000 0.000000 1.00 16 Fe Fe2_12 1.0000 0.295800 0.592000 0.747600 1a 1 0.000000 0.000000 0.000000 1.00 17 Fe Fe2_13 1.0000 0.204200 0.908000 0.247600 1a 1 0.000000 0.000000 0.000000 1.00 18 Fe Fe2_14 1.0000 0.908000 0.795800 0.247600 1a 1 0.000000 0.000000 0.000000 1.00 19 Fe Fe2_15 1.0000 0.092000 0.204200 0.247600 1a 1 0.000000 0.000000 0.000000 1.00 20 Fe Fe2_16 1.0000 0.795800 0.092000 0.247600 1a 1 0.000000 0.000000 0.000000 1.00 0 0 0 0 0 0 0 THERI 0 1 Fe1_1 1.000000 2 Fe1_2 1.000000 3 Fe1_3 1.000000 4 Fe1_4 1.000000 5 Fe2_1 1.000000 6 Fe2_2 1.000000 7 Fe2_3 1.000000 8 Fe2_4 1.000000 9 Fe2_5 1.000000 10 Fe2_6 1.000000 11 Fe2_7 1.000000 12 Fe2_8 1.000000 13 Fe2_9 1.000000 14 Fe2_10 1.000000 15 Fe2_11 1.000000 16 Fe2_12 1.000000 17 Fe2_13 1.000000 18 Fe2_14 1.000000 19 Fe2_15 1.000000 20 Fe2_16 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 Fe1_1 1.2600 181 113 0 181 113 0 204 0 2 Fe1_2 1.2600 181 113 0 181 113 0 204 0 3 Fe1_3 1.2600 181 113 0 181 113 0 204 0 4 Fe1_4 1.2600 181 113 0 181 113 0 204 0 5 Fe2_1 1.2600 181 113 0 181 113 0 204 0 6 Fe2_2 1.2600 181 113 0 181 113 0 204 0 7 Fe2_3 1.2600 181 113 0 181 113 0 204 0 8 Fe2_4 1.2600 181 113 0 181 113 0 204 0 9 Fe2_5 1.2600 181 113 0 181 113 0 204 0 10 Fe2_6 1.2600 181 113 0 181 113 0 204 0 11 Fe2_7 1.2600 181 113 0 181 113 0 204 0 12 Fe2_8 1.2600 181 113 0 181 113 0 204 0 13 Fe2_9 1.2600 181 113 0 181 113 0 204 0 14 Fe2_10 1.2600 181 113 0 181 113 0 204 0 15 Fe2_11 1.2600 181 113 0 181 113 0 204 0 16 Fe2_12 1.2600 181 113 0 181 113 0 204 0 17 Fe2_13 1.2600 181 113 0 181 113 0 204 0 18 Fe2_14 1.2600 181 113 0 181 113 0 204 0 19 Fe2_15 1.2600 181 113 0 181 113 0 204 0 20 Fe2_16 1.2600 181 113 0 181 113 0 204 0 0 0 0 0 0 0 VECTR 1 0.00000 0.00000 1.80000 0 5 0 0 0 0 0 0 0 0 0 2 0.00000 0.00000 1.80000 0 6 0 0 0 0 0 0 0 0 0 3 0.00000 0.00000 1.80000 0 7 0 0 0 0 0 0 0 0 0 4 0.00000 0.00000 1.80000 0 8 0 0 0 0 0 0 0 0 0 5 0.00000 0.00000 1.80000 0 9 0 0 0 0 0 0 0 0 0 6 0.00000 0.00000 1.80000 0 10 0 0 0 0 0 0 0 0 0 7 0.00000 0.00000 1.80000 0 11 0 0 0 0 0 0 0 0 0 8 0.00000 0.00000 1.80000 0 12 0 0 0 0 0 0 0 0 0 9 0.00000 0.00000 -1.80000 0 13 0 0 0 0 0 0 0 0 0 10 0.00000 0.00000 -1.80000 0 14 0 0 0 0 0 0 0 0 0 11 0.00000 0.00000 -1.80000 0 15 0 0 0 0 0 0 0 0 0 12 0.00000 0.00000 -1.80000 0 16 0 0 0 0 0 0 0 0 0 13 0.00000 0.00000 -1.80000 0 17 0 0 0 0 0 0 0 0 0 14 0.00000 0.00000 -1.80000 0 18 0 0 0 0 0 0 0 0 0 15 0.00000 0.00000 -1.80000 0 19 0 0 0 0 0 0 0 0 0 16 0.00000 0.00000 -1.80000 0 20 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