CXY LATTICE,NONEQUIV.ATOMS 4 63 Cmcm MODE OF CALC=RELA unit=bohr 7.162062 35.914245 9.909724 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.04100000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.95900000 Z=0.75000000 Au NPT= 781 R0=.000005000 RMT= 2.50000 Z: 79.00000 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=0.80000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.20000000 Z=0.75000000 N NPT= 781 R0=.000100000 RMT= 2.28 Z: 7.00000 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=0.40100000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.59900000 Z=0.75000000 Sr NPT= 781 R0=.000010000 RMT= 2.40 Z: 38.00000 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=0.21500000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.78500000 Z=0.75000000 Sr NPT= 781 R0=.000010000 RMT= 2.40 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000