B LATTICE,NONEQUIV.ATOMS 2 74 Imma MODE OF CALC=RELA unit=bohr 10.370817 16.491640 17.162493 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.25000000 Z=0.56210000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.75000000 Z=0.43790000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.07190000 Z=0.16560000 MULT= 4 ISPLIT= 8 -2: X=0.00000000 Y=0.92810000 Z=0.83440000 -2: X=0.00000000 Y=0.57190000 Z=0.83440000 -2: X=0.00000000 Y=0.42810000 Z=0.16560000 Hg NPT= 781 R0=.000005000 RMT= 2.50000 Z: 80.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000