CXY LATTICE,NONEQUIV.ATOMS 5 63 Cmcm MODE OF CALC=RELA unit=bohr 7.874300 51.394882 8.512460 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.79427000 Z=0.25000000 MULT= 2 ISPLIT=15 -1: X=0.00000000 Y=0.20573000 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=0.42585000 Z=0.25000000 MULT= 2 ISPLIT=15 -2: X=0.00000000 Y=0.57415000 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 -3: X=0.00000000 Y=0.67104000 Z=0.25000000 MULT= 2 ISPLIT=15 -3: X=0.00000000 Y=0.32896000 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 -4: X=0.00000000 Y=0.11733000 Z=0.25000000 MULT= 2 ISPLIT=15 -4: X=0.00000000 Y=0.88267000 Z=0.75000000 Al NPT= 781 R0=.000100000 RMT= 2.00000 Z: 13.00000 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=0.02324000 Z=0.25000000 MULT= 2 ISPLIT=15 -5: X=0.00000000 Y=0.97676000 Z=0.75000000 Al NPT= 781 R0=.000100000 RMT= 2.00000 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000