CXY LATTICE,NONEQUIV.ATOMS 3 63 Cmcm MODE OF CALC=RELA unit=bohr 8.247143 21.355795 15.505959 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.05365000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.94635000 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=0.77214000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.22786000 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=0.33541000 Z=0.05955000 MULT= 4 ISPLIT= 8 -3: X=0.00000000 Y=0.66459000 Z=0.94045000 -3: X=0.00000000 Y=0.33541000 Z=0.44045000 -3: X=0.00000000 Y=0.66459000 Z=0.55955000 Mg NPT= 781 R0=.000100000 RMT= 2.41 Z: 12.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000