CXY LATTICE,NONEQUIV.ATOMS 3 63 Cmcm MODE OF CALC=RELA unit=bohr 8.380935 20.087789 15.310561 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.43750000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.56250000 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 ATOM -2: X=0.00000000 Y=0.72268000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.27732000 Z=0.75000000 Pd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.14885000 Z=0.05630000 MULT= 4 ISPLIT= 8 -3: X=0.00000000 Y=0.85115000 Z=0.94370000 -3: X=0.00000000 Y=0.14885000 Z=0.44370000 -3: X=0.00000000 Y=0.85115000 Z=0.55630000 Cd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 48.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000