CXY LATTICE,NONEQUIV.ATOMS 4 63 Cmcm MODE OF CALC=RELA unit=bohr 8.275111 32.824543 8.280780 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.39200000 Z=0.25000000 MULT= 2 ISPLIT=15 -1: X=0.00000000 Y=0.60800000 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=0.18200000 Z=0.25000000 MULT= 2 ISPLIT=15 -2: X=0.00000000 Y=0.81800000 Z=0.75000000 Pd NPT= 781 R0=.000010000 RMT= 2.00000 Z: 46.00000 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=0.04300000 Z=0.25000000 MULT= 2 ISPLIT=15 -3: X=0.00000000 Y=0.95700000 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=0.75000000 Z=0.25000000 MULT= 2 ISPLIT=15 -4: X=0.00000000 Y=0.25000000 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