CXY LATTICE,NONEQUIV.ATOMS 3 63 Cmcm MODE OF CALC=RELA unit=bohr 8.290229 19.065447 12.477862 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.13000000 Z=0.06000000 MULT= 4 ISPLIT= 8 -1: X=0.00000000 Y=0.87000000 Z=0.94000000 -1: X=0.00000000 Y=0.13000000 Z=0.44000000 -1: X=0.00000000 Y=0.87000000 Z=0.56000000 Ga NPT= 781 R0=.000050000 RMT= 2.36 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.41100000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.58900000 Z=0.75000000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 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=0.70000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.30000000 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