P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 15.212295 28.893913 15.212295 90.000000 90.000000 90.000000 ATOM -1: X=0.13200000 Y=0.62100000 Z=0.16400000 MULT= 8 ISPLIT= 8 -1: X=0.86800000 Y=0.37900000 Z=0.83600000 -1: X=0.63200000 Y=0.62100000 Z=0.33600000 -1: X=0.36800000 Y=0.37900000 Z=0.66400000 -1: X=0.36800000 Y=0.12100000 Z=0.66400000 -1: X=0.63200000 Y=0.87900000 Z=0.33600000 -1: X=0.86800000 Y=0.12100000 Z=0.83600000 -1: X=0.13200000 Y=0.87900000 Z=0.16400000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.01200000 Y=0.09700000 Z=0.31700000 MULT= 8 ISPLIT= 8 -2: X=0.98800000 Y=0.90300000 Z=0.68300000 -2: X=0.51200000 Y=0.09700000 Z=0.18300000 -2: X=0.48800000 Y=0.90300000 Z=0.81700000 -2: X=0.48800000 Y=0.59700000 Z=0.81700000 -2: X=0.51200000 Y=0.40300000 Z=0.18300000 -2: X=0.98800000 Y=0.59700000 Z=0.68300000 -2: X=0.01200000 Y=0.40300000 Z=0.31700000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.20000000 Y=0.25000000 Z=0.00900000 MULT= 4 ISPLIT= 8 -3: X=0.80000000 Y=0.75000000 Z=0.99100000 -3: X=0.70000000 Y=0.25000000 Z=0.49100000 -3: X=0.30000000 Y=0.75000000 Z=0.50900000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.28500000 Y=0.54700000 Z=0.47900000 MULT= 8 ISPLIT= 8 -4: X=0.71500000 Y=0.45300000 Z=0.52100000 -4: X=0.78500000 Y=0.54700000 Z=0.02100000 -4: X=0.21500000 Y=0.45300000 Z=0.97900000 -4: X=0.21500000 Y=0.04700000 Z=0.97900000 -4: X=0.78500000 Y=0.95300000 Z=0.02100000 -4: X=0.71500000 Y=0.04700000 Z=0.52100000 -4: X=0.28500000 Y=0.95300000 Z=0.47900000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.07000000 Y=0.25000000 Z=0.61200000 MULT= 4 ISPLIT= 8 -5: X=0.93000000 Y=0.75000000 Z=0.38800000 -5: X=0.57000000 Y=0.25000000 Z=0.88800000 -5: X=0.43000000 Y=0.75000000 Z=0.11200000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.31800000 Y=0.25000000 Z=0.35800000 MULT= 4 ISPLIT= 8 -6: X=0.68200000 Y=0.75000000 Z=0.64200000 -6: X=0.81800000 Y=0.25000000 Z=0.14200000 -6: X=0.18200000 Y=0.75000000 Z=0.85800000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000