CXY LATTICE,NONEQUIV.ATOMS 1 64 Cmca MODE OF CALC=RELA unit=bohr 8.630190 14.651614 8.692362 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.15642000 Z=0.08120000 MULT= 4 ISPLIT= 8 -1: X=0.00000000 Y=0.84358000 Z=0.91880000 -1: X=0.00000000 Y=0.65642000 Z=0.41880000 -1: X=0.00000000 Y=0.34358000 Z=0.58120000 Ga NPT= 781 R0=.000050000 RMT= 2.38 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000