P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 15.982737 7.689296 30.993965 90.000000 90.000000 90.000000 ATOM -1: X=0.24054000 Y=0.25000000 Z=0.04231000 MULT= 4 ISPLIT= 8 -1: X=0.75946000 Y=0.75000000 Z=0.95769000 -1: X=0.74054000 Y=0.25000000 Z=0.45769000 -1: X=0.25946000 Y=0.75000000 Z=0.54231000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.08008000 Y=0.25000000 Z=0.78508000 MULT= 4 ISPLIT= 8 -2: X=0.91992000 Y=0.75000000 Z=0.21492000 -2: X=0.58008000 Y=0.25000000 Z=0.71492000 -2: X=0.41992000 Y=0.75000000 Z=0.28508000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.12633000 Y=0.25000000 Z=0.36689000 MULT= 4 ISPLIT= 8 -3: X=0.87367000 Y=0.75000000 Z=0.63311000 -3: X=0.62633000 Y=0.25000000 Z=0.13311000 -3: X=0.37367000 Y=0.75000000 Z=0.86689000 Zn NPT= 781 R0=.000050000 RMT= 2.40 Z: 30.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.18161000 Y=0.25000000 Z=0.22617000 MULT= 4 ISPLIT= 8 -4: X=0.81839000 Y=0.75000000 Z=0.77383000 -4: X=0.68161000 Y=0.25000000 Z=0.27383000 -4: X=0.31839000 Y=0.75000000 Z=0.72617000 S NPT= 781 R0=.000100000 RMT= 1.97 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.00945000 Y=0.25000000 Z=0.59860000 MULT= 4 ISPLIT= 8 -5: X=0.99055000 Y=0.75000000 Z=0.40140000 -5: X=0.50945000 Y=0.25000000 Z=0.90140000 -5: X=0.49055000 Y=0.75000000 Z=0.09860000 S NPT= 781 R0=.000100000 RMT= 1.97 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.37468000 Y=0.25000000 Z=0.42807000 MULT= 4 ISPLIT= 8 -6: X=0.62532000 Y=0.75000000 Z=0.57193000 -6: X=0.87468000 Y=0.25000000 Z=0.07193000 -6: X=0.12532000 Y=0.75000000 Z=0.92807000 S NPT= 781 R0=.000100000 RMT= 1.97 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000