B LATTICE,NONEQUIV.ATOMS 1 140 I4/mcm MODE OF CALC=RELA unit=bohr 15.178280 15.178280 7.368042 90.000000 90.000000 90.000000 ATOM -1: X=0.15000000 Y=0.65000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.85000000 Y=0.35000000 Z=0.00000000 -1: X=0.35000000 Y=0.15000000 Z=0.00000000 -1: X=0.65000000 Y=0.85000000 Z=0.00000000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068 0.7071068 0.0000000 0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000