B LATTICE,NONEQUIV.ATOMS 2 74 Imma MODE OF CALC=RELA unit=bohr 8.942184 14.142710 15.429614 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.04576000 Z=0.16356000 MULT= 4 ISPLIT= 8 -1: X=0.00000000 Y=0.95424000 Z=0.83644000 -1: X=0.00000000 Y=0.54576000 Z=0.83644000 -1: X=0.00000000 Y=0.45424000 Z=0.16356000 Au NPT= 781 R0=.000005000 RMT= 2.50000 Z: 79.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.25000000 Z=0.53950000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.75000000 Z=0.46050000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000