P LATTICE,NONEQUIV.ATOMS 2 62 Pnma MODE OF CALC=RELA unit=bohr 12.869035 8.346920 10.353809 90.000000 90.000000 90.000000 ATOM -1: X=0.18000000 Y=0.25000000 Z=0.61400000 MULT= 4 ISPLIT=15 -1: X=0.82000000 Y=0.75000000 Z=0.38600000 -1: X=0.68000000 Y=0.25000000 Z=0.88600000 -1: X=0.32000000 Y=0.75000000 Z=0.11400000 Lu NPT= 781 R0=.000010000 RMT= 2.00000 Z: 71.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.03000000 Y=0.25000000 Z=0.10900000 MULT= 4 ISPLIT=15 -2: X=0.97000000 Y=0.75000000 Z=0.89100000 -2: X=0.53000000 Y=0.25000000 Z=0.39100000 -2: X=0.47000000 Y=0.75000000 Z=0.60900000 Pt NPT= 781 R0=.000005000 RMT= 2.00000 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000