CXY LATTICE,NONEQUIV.ATOMS 2 63 Cmcm MODE OF CALC=RELA unit=bohr 7.953857 19.996515 7.559094 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.36500000 Z=0.25000000 MULT= 2 ISPLIT=15 -1: X=0.00000000 Y=0.63500000 Z=0.75000000 Lu NPT= 781 R0=.000010000 RMT= 2.00000 Z: 71.00000 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=0.07500000 Z=0.25000000 MULT= 2 ISPLIT=15 -2: X=0.00000000 Y=0.92500000 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