P LATTICE,NONEQUIV.ATOMS 3 11 P21/m MODE OF CALC=RELA unit=bohr 9.391939 9.391939 10.469083 90.000000 90.000000120.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.00000000 Z=0.50000000 Zn NPT= 781 R0=.000050000 RMT= 2.47 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.52000000 Y=0.26000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.48000000 Y=0.74000000 Z=0.75000000 Zn NPT= 781 R0=.000050000 RMT= 2.47 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.20000000 Y=0.60000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.80000000 Y=0.40000000 Z=0.75000000 Mg NPT= 781 R0=.000100000 RMT= 2.47 Z: 12.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000