B LATTICE,NONEQUIV.ATOMS 2 74 Imma MODE OF CALC=RELA unit=bohr 8.838249 14.390265 14.643488 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.25000000 Z=0.54400000 MULT= 2 ISPLIT=15 -1: X=0.00000000 Y=0.75000000 Z=0.45600000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 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=0.05700000 Z=0.16400000 MULT= 4 ISPLIT=15 -2: X=0.00000000 Y=0.94300000 Z=0.83600000 -2: X=0.00000000 Y=0.55700000 Z=0.83600000 -2: X=0.00000000 Y=0.44300000 Z=0.16400000 Zn NPT= 781 R0=.000050000 RMT= 2.00000 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000