P LATTICE,NONEQUIV.ATOMS 6 55 Pbam MODE OF CALC=RELA unit=bohr 13.526660 26.325775 10.193183 90.000000 90.000000 90.000000 ATOM -1: X=0.09920000 Y=0.26400000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.90080000 Y=0.73600000 Z=0.00000000 -1: X=0.40080000 Y=0.76400000 Z=0.00000000 -1: X=0.59920000 Y=0.23600000 Z=0.00000000 K NPT= 781 R0=.000050000 RMT= 2.48 Z: 19.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.30340000 Y=0.10720000 Z=0.50000000 MULT= 4 ISPLIT= 8 -2: X=0.69660000 Y=0.89280000 Z=0.50000000 -2: X=0.19660000 Y=0.60720000 Z=0.50000000 -2: X=0.80340000 Y=0.39280000 Z=0.50000000 K NPT= 781 R0=.000050000 RMT= 2.48 Z: 19.00000 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=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.50000000 Y=0.50000000 Z=0.00000000 K NPT= 781 R0=.000050000 RMT= 2.48 Z: 19.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.00000000 Y=0.50000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -4: X=0.50000000 Y=0.00000000 Z=0.00000000 Ag NPT= 781 R0=.000010000 RMT= 2.05 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.31510000 Y=0.11030000 Z=0.00000000 MULT= 4 ISPLIT= 8 -5: X=0.68490000 Y=0.88970000 Z=0.00000000 -5: X=0.18490000 Y=0.61030000 Z=0.00000000 -5: X=0.81510000 Y=0.38970000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.76 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 -6: X=0.27700000 Y=0.37500000 Z=0.50000000 MULT= 4 ISPLIT= 8 -6: X=0.72300000 Y=0.62500000 Z=0.50000000 -6: X=0.22300000 Y=0.87500000 Z=0.50000000 -6: X=0.77700000 Y=0.12500000 Z=0.50000000 N NPT= 781 R0=.000100000 RMT= 2.50000 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000