P LATTICE,NONEQUIV.ATOMS 5 62 Pnma MODE OF CALC=RELA unit=bohr 19.690946 9.148164 33.286581 90.000000 90.000000 90.000000 ATOM -1: X=0.41590000 Y=0.25000000 Z=0.67360000 MULT= 4 ISPLIT= 8 -1: X=0.58410000 Y=0.75000000 Z=0.32640000 -1: X=0.91590000 Y=0.25000000 Z=0.82640000 -1: X=0.08410000 Y=0.75000000 Z=0.17360000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.16620000 Y=0.25000000 Z=0.43920000 MULT= 4 ISPLIT= 8 -2: X=0.83380000 Y=0.75000000 Z=0.56080000 -2: X=0.66620000 Y=0.25000000 Z=0.06080000 -2: X=0.33380000 Y=0.75000000 Z=0.93920000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.30480000 Y=0.25000000 Z=0.28740000 MULT= 4 ISPLIT= 8 -3: X=0.69520000 Y=0.75000000 Z=0.71260000 -3: X=0.80480000 Y=0.25000000 Z=0.21260000 -3: X=0.19520000 Y=0.75000000 Z=0.78740000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.16370000 Y=0.25000000 Z=0.00900000 MULT= 4 ISPLIT= 8 -4: X=0.83630000 Y=0.75000000 Z=0.99100000 -4: X=0.66370000 Y=0.25000000 Z=0.49100000 -4: X=0.33630000 Y=0.75000000 Z=0.50900000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.02520000 Y=0.25000000 Z=0.61400000 MULT= 4 ISPLIT= 8 -5: X=0.97480000 Y=0.75000000 Z=0.38600000 -5: X=0.52520000 Y=0.25000000 Z=0.88600000 -5: X=0.47480000 Y=0.75000000 Z=0.11400000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000