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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 18.095900 18.095900 11.068000 90.000000 90.000000 120.000000 0.000900 0.000900 0.001000 0.000000 0.000000 0.000000 STRUC 1 Ca Ca1_1 0.6667 0.125000 0.000000 0.250000 18e .2'. 0.000000 0.000000 0.000000 0.00 2 Ca Ca1_2 0.6667 0.625000 0.000000 0.250000 18e .2'. 0.000000 0.000000 0.000000 0.00 3 La La1_1 0.3333 0.125000 0.000000 0.250000 18e .2'. 0.000000 0.000000 0.000000 0.00 4 La La1_2 0.3333 0.625000 0.000000 0.250000 18e .2'. 0.000000 0.000000 0.000000 0.00 5 Fe Fe1 1.0000 0.166667 0.708330 0.083333 36f 1 0.000000 0.000000 0.000000 0.00 6 Zr Zr1_1 1.0000 0.000000 0.000000 0.000000 6b -3'.. 0.000000 0.000000 0.000000 0.00 7 Zr Zr1_2 1.0000 0.500000 0.000000 0.000000 18d -1' 0.000000 0.000000 0.000000 0.00 8 O O1_1 1.0000 0.094000 0.095000 0.118000 36f 1 0.001000 0.001000 0.002000 0.00 9 O O1_2 1.0000 0.119000 0.265000 0.171000 36f 1 0.001000 0.001000 0.002000 0.00 10 O O1_3 1.0000 0.612000 0.701000 0.284000 36f 1 0.001000 0.001000 0.002000 0.00 11 O O1_4 1.0000 0.510000 0.606000 0.084000 36f 1 0.001000 0.001000 0.002000 0.00 0 0 0 0 0 0 0 THERI 1 1 Ca1_1 0.000000 2 Ca1_2 0.000000 3 La1_1 0.000000 4 La1_2 0.000000 5 Fe1 0.000000 6 Zr1_1 0.000000 7 Zr1_2 0.000000 8 O1_1 0.000000 9 O1_2 0.000000 10 O1_3 0.000000 11 O1_4 0.000000 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 Fe O 0.00000 2.44693 0 1 1 0 1 0.250 2.000 127 127 127 2 Zr O 0.00000 3.09651 0 1 1 0 1 0.250 2.000 127 127 127 0 0 0 0 SITET 1 Ca1_1 1.6000 64 107 134 90 150 189 80 0 2 Ca1_2 1.6000 64 107 134 90 150 189 80 0 3 La1_1 1.8800 230 203 88 90 196 73 80 0 4 La1_2 1.8800 230 203 88 90 196 73 80 0 5 Fe1 1.2600 181 113 0 181 113 0 80 0 6 Zr1_1 1.2000 0 255 0 0 255 0 80 0 7 Zr1_2 1.2000 0 255 0 0 255 0 80 0 8 O1_1 0.4000 254 3 0 254 3 0 80 0 9 O1_2 0.4000 254 3 0 254 3 0 80 0 10 O1_3 0.4000 254 3 0 254 3 0 80 0 11 O1_4 0.4000 254 3 0 254 3 0 80 0 0 0 0 0 0 0 VECTR 1 0.60000 4.20000 0.40000 0 5 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 Ca 1.6000 64 107 134 90 150 189 80 2 Fe 1.2600 181 113 0 181 113 0 80 3 Zr 1.2000 0 255 0 0 255 0 80 4 O 0.4000 254 3 0 254 3 0 80 5 La 1.8800 230 203 88 90 196 73 80 0 0 0 0 0 0 SCENE 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 0.000 0.000 0.000 1.630 HBOND 0 2 STYLE DISPF 37753794 MODEL 2 1 0 SURFS 0 1 1 SECTS 32 1 FORMS 0 1 ATOMS 0 0 1 BONDS 1 POLYS 2 VECTS 0.379291 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 80 1 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