P LATTICE,NONEQUIV.ATOMS 2 55 Pbam MODE OF CALC=RELA unit=bohr 11.062079 21.072336 9.110937 90.000000 90.000000 90.000000 ATOM -1: X=0.17100000 Y=0.36430000 Z=0.50000000 MULT= 4 ISPLIT= 8 -1: X=0.82900000 Y=0.63570000 Z=0.50000000 -1: X=0.32900000 Y=0.86430000 Z=0.50000000 -1: X=0.67100000 Y=0.13570000 Z=0.50000000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.14250000 Y=0.10160000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.85750000 Y=0.89840000 Z=0.00000000 -2: X=0.35750000 Y=0.60160000 Z=0.00000000 -2: X=0.64250000 Y=0.39840000 Z=0.00000000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000