B LATTICE,NONEQUIV.ATOMS 4 74 Imma MODE OF CALC=RELA unit=bohr 10.857610 15.330781 10.882177 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.25000000 Z=0.50030000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.75000000 Z=0.49970000 Sr NPT= 781 R0=.000010000 RMT= 2.45 Z: 38.00000 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=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.50000000 Z=0.00000000 Sn NPT= 781 R0=.000010000 RMT= 2.06 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.25000000 Z=0.04790000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.75000000 Z=0.95210000 O NPT= 781 R0=.000100000 RMT= 1.78 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.25000000 Y=0.52480000 Z=0.25000000 MULT= 4 ISPLIT= 8 -4: X=0.75000000 Y=0.47520000 Z=0.75000000 -4: X=0.25000000 Y=0.02480000 Z=0.75000000 -4: X=0.75000000 Y=0.97520000 Z=0.25000000 O NPT= 781 R0=.000100000 RMT= 1.78 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000