P LATTICE,NONEQUIV.ATOMS 5 14 P21/n MODE OF CALC=RELA unit=bohr 14.766320 14.253637 10.629710 90.000000 90.000000113.125000 ATOM -1: X=0.11700000 Y=0.08700000 Z=0.25300000 MULT= 4 ISPLIT= 8 -1: X=0.88300000 Y=0.91300000 Z=0.74700000 -1: X=0.38300000 Y=0.41300000 Z=0.75300000 -1: X=0.61700000 Y=0.58700000 Z=0.24700000 Pb NPT= 781 R0=.000005000 RMT= 2.14 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=0.14600000 Y=0.61200000 Z=0.24200000 MULT= 4 ISPLIT= 8 -2: X=0.85400000 Y=0.38800000 Z=0.75800000 -2: X=0.35400000 Y=0.88800000 Z=0.74200000 -2: X=0.64600000 Y=0.11200000 Z=0.25800000 Pb NPT= 781 R0=.000005000 RMT= 2.14 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 -3: X=0.26300000 Y=0.36700000 Z=0.13600000 MULT= 4 ISPLIT= 8 -3: X=0.73700000 Y=0.63300000 Z=0.86400000 -3: X=0.23700000 Y=0.13300000 Z=0.63600000 -3: X=0.76300000 Y=0.86700000 Z=0.36400000 O NPT= 781 R0=.000100000 RMT= 1.55 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=0.04400000 Y=0.19000000 Z=0.60000000 MULT= 4 ISPLIT= 8 -4: X=0.95600000 Y=0.81000000 Z=0.40000000 -4: X=0.45600000 Y=0.31000000 Z=0.10000000 -4: X=0.54400000 Y=0.69000000 Z=0.90000000 O NPT= 781 R0=.000100000 RMT= 1.55 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=0.35000000 Y=0.06000000 Z=0.43700000 MULT= 4 ISPLIT= 8 -5: X=0.65000000 Y=0.94000000 Z=0.56300000 -5: X=0.15000000 Y=0.44000000 Z=0.93700000 -5: X=0.85000000 Y=0.56000000 Z=0.06300000 O NPT= 781 R0=.000100000 RMT= 1.55 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000