#VESTA_FORMAT_VERSION 3.1.9 CRYSTAL TITLE 0.La2NiO4.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 5.499500 5.499500 12.505200 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 STRUC 1 Ni Ni1_1 1.0000 0.000000 0.000000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 2 Ni Ni1_2 1.0000 0.500000 0.500000 0.000000 1a 1 0.000000 0.000000 0.000000 1.00 3 Ni Ni1_3 1.0000 0.500000 0.000000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 4 Ni Ni1_4 1.0000 0.000000 0.500000 0.500000 1a 1 0.000000 0.000000 0.000000 1.00 0 0 0 0 0 0 0 THERI 0 1 Ni1_1 1.000000 2 Ni1_2 1.000000 3 Ni1_3 1.000000 4 Ni1_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 Ni1_1 1.2500 183 187 189 183 187 189 204 0 2 Ni1_2 1.2500 183 187 189 183 187 189 204 0 3 Ni1_3 1.2500 183 187 189 183 187 189 204 0 4 Ni1_4 1.2500 183 187 189 183 187 189 204 0 0 0 0 0 0 0 VECTR 1 1.37500 0.00000 0.00000 0 1 0 0 0 0 0 0 0 0 0 2 -1.37500 0.00000 0.00000 0 2 0 0 0 0 0 0 0 0 0 3 -1.37500 0.00000 0.00000 0 3 0 0 0 0 0 0 0 0 0 4 1.37500 0.00000 0.00000 0 4 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 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