P LATTICE,NONEQUIV.ATOMS 6 92 P41212 MODE OF CALC=RELA unit=bohr 12.664945 12.664945 23.007416 90.000000 90.000000 90.000000 ATOM -1: X=0.35470000 Y=0.12620000 Z=0.38560000 MULT= 8 ISPLIT=15 -1: X=0.37380000 Y=0.85470000 Z=0.63560000 -1: X=0.85470000 Y=0.37380000 Z=0.36440000 -1: X=0.64530000 Y=0.87380000 Z=0.88560000 -1: X=0.12620000 Y=0.35470000 Z=0.61440000 -1: X=0.62620000 Y=0.14530000 Z=0.13560000 -1: X=0.14530000 Y=0.62620000 Z=0.86440000 -1: X=0.87380000 Y=0.64530000 Z=0.11440000 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=0.10070000 Y=0.15050000 Z=0.13230000 MULT= 8 ISPLIT=15 -2: X=0.34950000 Y=0.60070000 Z=0.38230000 -2: X=0.60070000 Y=0.34950000 Z=0.61770000 -2: X=0.89930000 Y=0.84950000 Z=0.63230000 -2: X=0.15050000 Y=0.10070000 Z=0.86770000 -2: X=0.65050000 Y=0.39930000 Z=0.88230000 -2: X=0.39930000 Y=0.65050000 Z=0.11770000 -2: X=0.84950000 Y=0.89930000 Z=0.36770000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.31800000 Y=0.14000000 Z=0.20800000 MULT= 8 ISPLIT=15 -3: X=0.36000000 Y=0.81800000 Z=0.45800000 -3: X=0.81800000 Y=0.36000000 Z=0.54200000 -3: X=0.68200000 Y=0.86000000 Z=0.70800000 -3: X=0.14000000 Y=0.31800000 Z=0.79200000 -3: X=0.64000000 Y=0.18200000 Z=0.95800000 -3: X=0.18200000 Y=0.64000000 Z=0.04200000 -3: X=0.86000000 Y=0.68200000 Z=0.29200000 O NPT= 781 R0=.000100000 RMT= 2.00000 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.17300000 Y=0.43900000 Z=0.42600000 MULT= 8 ISPLIT=15 -4: X=0.06100000 Y=0.67300000 Z=0.67600000 -4: X=0.67300000 Y=0.06100000 Z=0.32400000 -4: X=0.82700000 Y=0.56100000 Z=0.92600000 -4: X=0.43900000 Y=0.17300000 Z=0.57400000 -4: X=0.93900000 Y=0.32700000 Z=0.17600000 -4: X=0.32700000 Y=0.93900000 Z=0.82400000 -4: X=0.56100000 Y=0.82700000 Z=0.07400000 O NPT= 781 R0=.000100000 RMT= 2.00000 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.04000000 Y=0.09000000 Z=0.37000000 MULT= 8 ISPLIT=15 -5: X=0.41000000 Y=0.54000000 Z=0.62000000 -5: X=0.54000000 Y=0.41000000 Z=0.38000000 -5: X=0.96000000 Y=0.91000000 Z=0.87000000 -5: X=0.09000000 Y=0.04000000 Z=0.63000000 -5: X=0.59000000 Y=0.46000000 Z=0.12000000 -5: X=0.46000000 Y=0.59000000 Z=0.88000000 -5: X=0.91000000 Y=0.96000000 Z=0.13000000 O NPT= 781 R0=.000100000 RMT= 2.00000 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.20570000 Y=0.20570000 Z=0.00000000 MULT= 4 ISPLIT=15 -6: X=0.29430000 Y=0.70570000 Z=0.25000000 -6: X=0.70570000 Y=0.29430000 Z=0.75000000 -6: X=0.79430000 Y=0.79430000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 2.00000 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000