blebleble R 3 161 R3c RELA 9.686169 9.686169 26.293623 90.000000 90.000000120.000000 ATOM -1: X=0.40529778 Y=0.40529778 Z=0.40529778 MULT= 2 ISPLIT= 4 -1: X=0.90529778 Y=0.90529778 Z=0.90529778 Ti NPT= 781 R0=.000050000 RMT= 1.75000 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 -2: X=0.09464990 Y=0.09464990 Z=0.09464990 MULT= 2 ISPLIT= 4 -2: X=0.59464990 Y=0.59464990 Z=0.59464990 Ti NPT= 781 R0=.000050000 RMT= 1.75000 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=0.81283759 Y=0.49994666 Z=0.18714726 MULT= 6 ISPLIT= 8 -3: X=0.49994666 Y=0.18714726 Z=0.81283759 -3: X=0.31283759 Y=0.68714726 Z=0.99994666 -3: X=0.18714726 Y=0.81283759 Z=0.49994666 -3: X=0.68714726 Y=0.99994666 Z=0.31283759 -3: X=0.99994666 Y=0.31283759 Z=0.68714726 O NPT= 781 R0=.000100000 RMT= 1.75000 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 6 NUMBER OF SYMMETRY OPERATIONS 0 1 0 0.0000000 0 0 1 0.0000000 1 0 0 0.0000000 1 0 0 1 0.0000000 1 0 0 0.0000000 0 1 0 0.0000000 2 1 0 0 0.0000000 0 1 0 0.0000000 0 0 1 0.0000000 3 0 0 1 0.5000000 0 1 0 0.5000000 1 0 0 0.5000000 4 0 1 0 0.5000000 1 0 0 0.5000000 0 0 1 0.5000000 5 1 0 0 0.5000000 0 0 1 0.5000000 0 1 0 0.5000000 6