P LATTICE,NONEQUIV.ATOMS 1 62 Pnma MODE OF CALC=RELA unit=bohr 12.294558 10.633489 6.147279 90.000000 90.000000 90.000000 ATOM -1: X=0.07000000 Y=0.25000000 Z=0.12500000 MULT= 4 ISPLIT= 8 -1: X=0.93000000 Y=0.75000000 Z=0.87500000 -1: X=0.57000000 Y=0.25000000 Z=0.37500000 -1: X=0.43000000 Y=0.75000000 Z=0.62500000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000