P LATTICE,NONEQUIV.ATOMS 9 198 P213 MODE OF CALC=RELA unit=bohr 22.456938 22.456938 22.456938 90.000000 90.000000 90.000000 ATOM -1: X=0.01586000 Y=0.27606000 Z=0.21503000 MULT=12 ISPLIT= 8 -1: X=0.48414000 Y=0.72394000 Z=0.71503000 -1: X=0.51586000 Y=0.22394000 Z=0.78497000 -1: X=0.21503000 Y=0.01586000 Z=0.27606000 -1: X=0.98414000 Y=0.77606000 Z=0.28497000 -1: X=0.28497000 Y=0.98414000 Z=0.77606000 -1: X=0.71503000 Y=0.48414000 Z=0.72394000 -1: X=0.78497000 Y=0.51586000 Z=0.22394000 -1: X=0.27606000 Y=0.21503000 Z=0.01586000 -1: X=0.22394000 Y=0.78497000 Z=0.51586000 -1: X=0.77606000 Y=0.28497000 Z=0.98414000 -1: X=0.72394000 Y=0.71503000 Z=0.48414000 Hg NPT= 781 R0=.000005000 RMT= 2.50000 Z: 80.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.27031000 Y=0.28379000 Z=0.51394000 MULT=12 ISPLIT= 8 -2: X=0.22969000 Y=0.71621000 Z=0.01394000 -2: X=0.77031000 Y=0.21621000 Z=0.48606000 -2: X=0.51394000 Y=0.27031000 Z=0.28379000 -2: X=0.72969000 Y=0.78379000 Z=0.98606000 -2: X=0.98606000 Y=0.72969000 Z=0.78379000 -2: X=0.01394000 Y=0.22969000 Z=0.71621000 -2: X=0.48606000 Y=0.77031000 Z=0.21621000 -2: X=0.28379000 Y=0.51394000 Z=0.27031000 -2: X=0.21621000 Y=0.48606000 Z=0.77031000 -2: X=0.78379000 Y=0.98606000 Z=0.72969000 -2: X=0.71621000 Y=0.01394000 Z=0.22969000 Hg NPT= 781 R0=.000005000 RMT= 2.50000 Z: 80.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.02260000 Y=0.02260000 Z=0.02260000 MULT= 4 ISPLIT= 4 -3: X=0.47740000 Y=0.97740000 Z=0.52260000 -3: X=0.52260000 Y=0.47740000 Z=0.97740000 -3: X=0.97740000 Y=0.52260000 Z=0.47740000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -4: X=0.21080000 Y=0.21080000 Z=0.21080000 MULT= 4 ISPLIT= 4 -4: X=0.28920000 Y=0.78920000 Z=0.71080000 -4: X=0.71080000 Y=0.28920000 Z=0.78920000 -4: X=0.78920000 Y=0.71080000 Z=0.28920000 P NPT= 781 R0=.000100000 RMT= 1.94 Z: 15.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -5: X=0.31710000 Y=0.31710000 Z=0.31710000 MULT= 4 ISPLIT= 4 -5: X=0.18290000 Y=0.68290000 Z=0.81710000 -5: X=0.81710000 Y=0.18290000 Z=0.68290000 -5: X=0.68290000 Y=0.81710000 Z=0.18290000 P NPT= 781 R0=.000100000 RMT= 1.94 Z: 15.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -6: X=0.68410000 Y=0.68410000 Z=0.68410000 MULT= 4 ISPLIT= 4 -6: X=0.81590000 Y=0.31590000 Z=0.18410000 -6: X=0.18410000 Y=0.81590000 Z=0.31590000 -6: X=0.31590000 Y=0.18410000 Z=0.81590000 P NPT= 781 R0=.000100000 RMT= 1.94 Z: 15.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -7: X=0.79060000 Y=0.79060000 Z=0.79060000 MULT= 4 ISPLIT= 4 -7: X=0.70940000 Y=0.20940000 Z=0.29060000 -7: X=0.29060000 Y=0.70940000 Z=0.20940000 -7: X=0.20940000 Y=0.29060000 Z=0.70940000 P NPT= 781 R0=.000100000 RMT= 1.94 Z: 15.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -8: X=0.01450000 Y=0.29540000 Z=0.45780000 MULT=12 ISPLIT= 8 -8: X=0.48550000 Y=0.70460000 Z=0.95780000 -8: X=0.51450000 Y=0.20460000 Z=0.54220000 -8: X=0.45780000 Y=0.01450000 Z=0.29540000 -8: X=0.98550000 Y=0.79540000 Z=0.04220000 -8: X=0.04220000 Y=0.98550000 Z=0.79540000 -8: X=0.95780000 Y=0.48550000 Z=0.70460000 -8: X=0.54220000 Y=0.51450000 Z=0.20460000 -8: X=0.29540000 Y=0.45780000 Z=0.01450000 -8: X=0.20460000 Y=0.54220000 Z=0.51450000 -8: X=0.79540000 Y=0.04220000 Z=0.98550000 -8: X=0.70460000 Y=0.95780000 Z=0.48550000 Cl NPT= 781 R0=.000100000 RMT= 2.32 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.04700000 Y=0.52020000 Z=0.23060000 MULT=12 ISPLIT= 8 -9: X=0.45300000 Y=0.47980000 Z=0.73060000 -9: X=0.54700000 Y=0.97980000 Z=0.76940000 -9: X=0.23060000 Y=0.04700000 Z=0.52020000 -9: X=0.95300000 Y=0.02020000 Z=0.26940000 -9: X=0.26940000 Y=0.95300000 Z=0.02020000 -9: X=0.73060000 Y=0.45300000 Z=0.47980000 -9: X=0.76940000 Y=0.54700000 Z=0.97980000 -9: X=0.52020000 Y=0.23060000 Z=0.04700000 -9: X=0.97980000 Y=0.76940000 Z=0.54700000 -9: X=0.02020000 Y=0.26940000 Z=0.95300000 -9: X=0.47980000 Y=0.73060000 Z=0.45300000 Cl NPT= 781 R0=.000100000 RMT= 2.32 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000