P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 12.793446 8.278890 14.291999 90.000000 90.000000 90.000000 ATOM -1: X=0.09350000 Y=0.25000000 Z=0.67900000 MULT= 4 ISPLIT=15 -1: X=0.90650000 Y=0.75000000 Z=0.32100000 -1: X=0.59350000 Y=0.25000000 Z=0.82100000 -1: X=0.40650000 Y=0.75000000 Z=0.17900000 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=0.26500000 Y=0.25000000 Z=0.37600000 MULT= 4 ISPLIT=15 -2: X=0.73500000 Y=0.75000000 Z=0.62400000 -2: X=0.76500000 Y=0.25000000 Z=0.12400000 -2: X=0.23500000 Y=0.75000000 Z=0.87600000 Pd NPT= 781 R0=.000010000 RMT= 2.00000 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.13700000 Y=0.25000000 Z=0.05500000 MULT= 4 ISPLIT=15 -3: X=0.86300000 Y=0.75000000 Z=0.94500000 -3: X=0.63700000 Y=0.25000000 Z=0.44500000 -3: X=0.36300000 Y=0.75000000 Z=0.55500000 Ga NPT= 781 R0=.000050000 RMT= 2.00000 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000