CXY LATTICE,NONEQUIV.ATOMS 1 64 Cmca MODE OF CALC=RELA unit=bohr 11.891858 8.571987 15.423378 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.12190000 Z=0.10060000 MULT= 4 ISPLIT= 8 -1: X=0.00000000 Y=0.87810000 Z=0.89940000 -1: X=0.00000000 Y=0.62190000 Z=0.39940000 -1: X=0.00000000 Y=0.37810000 Z=0.60060000 Cl NPT= 781 R0=.000100000 RMT= 1.86 Z: 17.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000