CXY LATTICE,NONEQUIV.ATOMS 2 63 Cmcm MODE OF CALC=RELA unit=bohr 8.529090 21.845234 8.026801 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.35686000 Z=0.25000000 MULT= 2 ISPLIT=15 -1: X=0.00000000 Y=0.64314000 Z=0.75000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.06660000 Z=0.25000000 MULT= 2 ISPLIT=15 -2: X=0.00000000 Y=0.93340000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.00000 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000