CXY LATTICE,NONEQUIV.ATOMS 5 63 Cmcm MODE OF CALC=RELA unit=bohr 7.498433 19.724961 26.531755 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.33200000 Z=0.09700000 MULT= 4 ISPLIT=15 -1: X=0.00000000 Y=0.66800000 Z=0.90300000 -1: X=0.00000000 Y=0.33200000 Z=0.40300000 -1: X=0.00000000 Y=0.66800000 Z=0.59700000 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=0.04800000 Z=0.25000000 MULT= 2 ISPLIT=15 -2: X=0.00000000 Y=0.95200000 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 -3: X=0.00000000 Y=0.62200000 Z=0.10900000 MULT= 4 ISPLIT=15 -3: X=0.00000000 Y=0.37800000 Z=0.89100000 -3: X=0.00000000 Y=0.62200000 Z=0.39100000 -3: X=0.00000000 Y=0.37800000 Z=0.60900000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.00000000 Y=0.77600000 Z=0.25000000 MULT= 2 ISPLIT=15 -4: X=0.00000000 Y=0.22400000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT=15 -5: X=0.00000000 Y=0.00000000 Z=0.50000000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000