CXY LATTICE,NONEQUIV.ATOMS 2 63 Cmcm MODE OF CALC=RELA unit=bohr 9.482646 23.111351 8.783447 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.07800000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.92200000 Z=0.75000000 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 -2: X=0.00000000 Y=0.36800000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.63200000 Z=0.75000000 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