P LATTICE,NONEQUIV.ATOMS 1 62 Pnma MODE OF CALC=RELA unit=bohr 8.974309 14.877814 6.691520 90.000000 90.000000 90.000000 ATOM -1: X=0.02050000 Y=0.25000000 Z=0.13480000 MULT= 4 ISPLIT= 8 -1: X=0.97950000 Y=0.75000000 Z=0.86520000 -1: X=0.52050000 Y=0.25000000 Z=0.36520000 -1: X=0.47950000 Y=0.75000000 Z=0.63480000 N NPT= 781 R0=.000100000 RMT= 2.36 Z: 7.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000