P LATTICE,NONEQUIV.ATOMS 7 19 P212121 MODE OF CALC=RELA unit=bohr 11.327396 13.841110 18.810334 90.000000 90.000000 90.000000 ATOM -1: X=0.06588000 Y=0.06141000 Z=0.09116000 MULT= 4 ISPLIT= 8 -1: X=0.43412000 Y=0.93859000 Z=0.59116000 -1: X=0.56588000 Y=0.43859000 Z=0.90884000 -1: X=0.93412000 Y=0.56141000 Z=0.40884000 Pb NPT= 781 R0=.000005000 RMT= 2.30 Z: 82.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.51853000 Y=0.24860000 Z=0.29050000 MULT= 4 ISPLIT= 8 -2: X=0.98147000 Y=0.75140000 Z=0.79050000 -2: X=0.01853000 Y=0.25140000 Z=0.70950000 -2: X=0.48147000 Y=0.74860000 Z=0.20950000 Sr NPT= 781 R0=.000010000 RMT= 2.31 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.02370000 Y=0.53763000 Z=0.08723000 MULT= 4 ISPLIT= 8 -3: X=0.47630000 Y=0.46237000 Z=0.58723000 -3: X=0.52370000 Y=0.96237000 Z=0.91277000 -3: X=0.97630000 Y=0.03763000 Z=0.41277000 Ge NPT= 781 R0=.000050000 RMT= 1.72 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 -4: X=0.45500000 Y=0.06100000 Z=0.06930000 MULT= 4 ISPLIT= 8 -4: X=0.04500000 Y=0.93900000 Z=0.56930000 -4: X=0.95500000 Y=0.43900000 Z=0.93070000 -4: X=0.54500000 Y=0.56100000 Z=0.43070000 O NPT= 781 R0=.000100000 RMT= 1.56 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=0.25160000 Y=0.44840000 Z=0.17410000 MULT= 4 ISPLIT= 8 -5: X=0.24840000 Y=0.55160000 Z=0.67410000 -5: X=0.75160000 Y=0.05160000 Z=0.82590000 -5: X=0.74840000 Y=0.94840000 Z=0.32590000 O NPT= 781 R0=.000100000 RMT= 1.56 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=0.39530000 Y=0.23620000 Z=0.54950000 MULT= 4 ISPLIT= 8 -6: X=0.10470000 Y=0.76380000 Z=0.04950000 -6: X=0.89530000 Y=0.26380000 Z=0.45050000 -6: X=0.60470000 Y=0.73620000 Z=0.95050000 O NPT= 781 R0=.000100000 RMT= 1.56 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 -7: X=0.21090000 Y=0.01310000 Z=0.30720000 MULT= 4 ISPLIT= 8 -7: X=0.28910000 Y=0.98690000 Z=0.80720000 -7: X=0.71090000 Y=0.48690000 Z=0.69280000 -7: X=0.78910000 Y=0.51310000 Z=0.19280000 O NPT= 781 R0=.000100000 RMT= 1.56 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000