B LATTICE,NONEQUIV.ATOMS 4 72 Ibam MODE OF CALC=RELA unit=bohr 13.260208 25.904366 11.376151 90.000000 90.000000 90.000000 ATOM -1: X=0.25500000 Y=0.12200000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.74500000 Y=0.87800000 Z=0.00000000 -1: X=0.74500000 Y=0.12200000 Z=0.50000000 -1: X=0.25500000 Y=0.87800000 Z=0.50000000 Ga NPT= 781 R0=.000050000 RMT= 2.50000 Z: 31.00000 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=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.00000000 Z=0.75000000 Mg NPT= 781 R0=.000100000 RMT= 2.50000 Z: 12.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.24000000 Z=0.25000000 MULT= 4 ISPLIT= 8 -3: X=0.00000000 Y=0.76000000 Z=0.75000000 -3: X=0.00000000 Y=0.24000000 Z=0.75000000 -3: X=0.00000000 Y=0.76000000 Z=0.25000000 Mg NPT= 781 R0=.000100000 RMT= 2.50000 Z: 12.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.15500000 Y=0.42300000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.84500000 Y=0.57700000 Z=0.00000000 -4: X=0.84500000 Y=0.42300000 Z=0.50000000 -4: X=0.15500000 Y=0.57700000 Z=0.50000000 Mg NPT= 781 R0=.000100000 RMT= 2.50000 Z: 12.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000