CXY LATTICE,NONEQUIV.ATOMS 5 63 Cmcm MODE OF CALC=RELA unit=bohr 8.562538 35.906686 13.243201 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.44819000 Z=0.25000000 MULT= 2 ISPLIT=15 -1: X=0.00000000 Y=0.55181000 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=0.65983000 Z=0.25000000 MULT= 2 ISPLIT=15 -2: X=0.00000000 Y=0.34017000 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=0.06051000 Z=0.06994000 MULT= 4 ISPLIT=15 -3: X=0.00000000 Y=0.93949000 Z=0.93006000 -3: X=0.00000000 Y=0.06051000 Z=0.43006000 -3: X=0.00000000 Y=0.93949000 Z=0.56994000 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=0.28014000 Z=0.25000000 MULT= 2 ISPLIT=15 -4: X=0.00000000 Y=0.71986000 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=0.18980000 Z=0.56000000 MULT= 4 ISPLIT=15 -5: X=0.00000000 Y=0.81020000 Z=0.44000000 -5: X=0.00000000 Y=0.18980000 Z=0.94000000 -5: X=0.00000000 Y=0.81020000 Z=0.06000000 Li NPT= 781 R0=.000100000 RMT= 2.00000 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000