blebleble B 4 140 I4/mcm RELA 10.509224 10.509224 15.323735 90.000000 90.000000 90.000000 ATOM -1: X=0.50000000 Y=0.00000000 Z=0.25000000 MULT= 2 ISPLIT=-2 -1: X=0.50000000 Y=0.00000000 Z=0.75000000 Sr 2+ NPT= 781 R0=0.00001000 RMT= 2.3600 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.00000000 Z=0.50000000 MULT= 2 ISPLIT=-2 -2: X=0.00000000 Y=0.00000000 Z=0.00000000 Ti 4+ NPT= 781 R0=0.00005000 RMT= 1.8000 Z: 22.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.00000000 Z=0.25000000 MULT= 2 ISPLIT=-2 -3: X=0.00000000 Y=0.00000000 Z=0.75000000 O 2- NPT= 781 R0=0.00010000 RMT= 1.6000 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.72444017 Y=0.22444017 Z=0.50000000 MULT= 4 ISPLIT= 8 -4: X=0.27555983 Y=0.77555983 Z=0.50000000 -4: X=0.77555983 Y=0.72444017 Z=0.50000000 -4: X=0.22444017 Y=0.27555983 Z=0.50000000 O 2- NPT= 781 R0=0.00010000 RMT= 1.6000 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068 0.7071068 0.0000000 0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 16 NUMBER OF SYMMETRY OPERATIONS 0-1 0 0.00000000 1 0 0 0.00000000 0 0-1 0.00000000 1 -1 0 0 0.00000000 0-1 0 0.00000000 0 0-1 0.00000000 2 1 0 0 0.00000000 0 1 0 0.00000000 0 0-1 0.00000000 3 0-1 0 0.00000000 1 0 0 0.00000000 0 0 1 0.00000000 4 0 1 0 0.00000000 -1 0 0 0.00000000 0 0-1 0.00000000 5 -1 0 0 0.00000000 0-1 0 0.00000000 0 0 1 0.00000000 6 1 0 0 0.00000000 0 1 0 0.00000000 0 0 1 0.00000000 7 0 1 0 0.00000000 -1 0 0 0.00000000 0 0 1 0.00000000 8 -1 0 0 0.00000000 0 1 0 0.00000000 0 0 1 0.50000000 9 0-1 0 0.00000000 -1 0 0 0.00000000 0 0-1 0.50000000 10 -1 0 0 0.00000000 0 1 0 0.00000000 0 0-1 0.50000000 11 1 0 0 0.00000000 0-1 0 0.00000000 0 0-1 0.50000000 12 0 1 0 0.50000000 1 0 0 0.50000000 0 0 1 0.00000000 13 0-1 0 0.00000000 -1 0 0 0.00000000 0 0 1 0.50000000 14 1 0 0 0.00000000 0-1 0 0.00000000 0 0 1 0.50000000 15 0 1 0 0.00000000 1 0 0 0.00000000 0 0-1 0.50000000 16