CXY LATTICE,NONEQUIV.ATOMS 4 63 Cmcm MODE OF CALC=RELA unit=bohr 12.164167 19.745748 11.345916 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.73495000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.26505000 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=0.40322000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.59678000 Z=0.75000000 Pd NPT= 781 R0=.000010000 RMT= 2.42 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=0.16286000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.83714000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.30 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.21964000 Y=0.00000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.78036000 Y=0.00000000 Z=0.00000000 -4: X=0.21964000 Y=0.00000000 Z=0.50000000 -4: X=0.78036000 Y=0.00000000 Z=0.50000000 Ga NPT= 781 R0=.000050000 RMT= 2.30 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000