P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 16.079680 9.805789 18.405933 90.000000 90.000000 90.000000 ATOM -1: X=0.14920000 Y=0.25000000 Z=0.06930000 MULT= 4 ISPLIT= 8 -1: X=0.85080000 Y=0.75000000 Z=0.93070000 -1: X=0.64920000 Y=0.25000000 Z=0.43070000 -1: X=0.35080000 Y=0.75000000 Z=0.56930000 Ca NPT= 781 R0=.000050000 RMT= 2.50000 Z: 20.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.02180000 Y=0.25000000 Z=0.68010000 MULT= 4 ISPLIT= 8 -2: X=0.97820000 Y=0.75000000 Z=0.31990000 -2: X=0.52180000 Y=0.25000000 Z=0.81990000 -2: X=0.47820000 Y=0.75000000 Z=0.18010000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.26220000 Y=0.25000000 Z=0.38870000 MULT= 4 ISPLIT= 8 -3: X=0.73780000 Y=0.75000000 Z=0.61130000 -3: X=0.76220000 Y=0.25000000 Z=0.11130000 -3: X=0.23780000 Y=0.75000000 Z=0.88870000 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