CXY LATTICE,NONEQUIV.ATOMS 4 63 Cmcm MODE OF CALC=RELA unit=bohr 7.651501 39.266619 7.404703 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.91810000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.08190000 Z=0.75000000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 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=0.54560000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.45440000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.29 Z: 32.00000 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=0.19300000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.80700000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.29 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.31020000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.68980000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.29 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000