CXY LATTICE,NONEQUIV.ATOMS 1 64 Cmca MODE OF CALC=RELA unit=bohr 14.699802 8.219175 17.059503 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.09118000 Z=0.10152000 MULT= 4 ISPLIT= 8 -1: X=0.00000000 Y=0.90882000 Z=0.89848000 -1: X=0.00000000 Y=0.59118000 Z=0.39848000 -1: X=0.00000000 Y=0.40882000 Z=0.60152000 Cl NPT= 781 R0=.000100000 RMT= 1.88 Z: 17.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000