CXY LATTICE,NONEQUIV.ATOMS 3 63 Cmcm MODE OF CALC=RELA unit=bohr 7.655281 25.252410 19.108911 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.06800000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.93200000 Z=0.75000000 Ca NPT= 781 R0=.000050000 RMT= 2.50000 Z: 20.00000 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=0.35900000 Z=0.06000000 MULT= 4 ISPLIT= 8 -2: X=0.00000000 Y=0.64100000 Z=0.94000000 -2: X=0.00000000 Y=0.35900000 Z=0.44000000 -2: X=0.00000000 Y=0.64100000 Z=0.56000000 Ca NPT= 781 R0=.000050000 RMT= 2.50000 Z: 20.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.74800000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.25200000 Z=0.75000000 Zn NPT= 781 R0=.000050000 RMT= 2.50000 Z: 30.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000