B LATTICE,NONEQUIV.ATOMS 2 74 Imma MODE OF CALC=RELA unit=bohr 9.027222 14.720967 14.862696 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.25000000 Z=0.55200000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.75000000 Z=0.44800000 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 ATOM -2: X=0.00000000 Y=0.06100000 Z=0.16500000 MULT= 4 ISPLIT= 8 -2: X=0.00000000 Y=0.93900000 Z=0.83500000 -2: X=0.00000000 Y=0.56100000 Z=0.83500000 -2: X=0.00000000 Y=0.43900000 Z=0.16500000 Zn NPT= 781 R0=.000050000 RMT= 2.50000 Z: 30.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000