CXY LATTICE,NONEQUIV.ATOMS 3 63 Cmcm MODE OF CALC=RELA unit=bohr 8.620931 18.031767 8.246765 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.07630000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.92370000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.46 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 -2: X=0.00000000 Y=0.75700000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.24300000 Z=0.75000000 Li NPT= 781 R0=.000100000 RMT= 2.16 Z: 3.00000 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=0.41200000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.58800000 Z=0.75000000 Li NPT= 781 R0=.000100000 RMT= 2.16 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000