CXZ LATTICE,NONEQUIV.ATOMS 6 12 B2/m MODE OF CALC=RELA unit=bohr 15.291664 11.211745 26.484512 90.000000 90.000000 88.978000 ATOM -1: X=0.90290000 Y=0.20940000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.09710000 Y=0.79060000 Z=0.00000000 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=0.80000000 Y=0.27170000 Z=0.29980000 MULT= 4 ISPLIT= 8 -2: X=0.20000000 Y=0.72830000 Z=0.70020000 -2: X=0.20000000 Y=0.72830000 Z=0.29980000 -2: X=0.80000000 Y=0.27170000 Z=0.70020000 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 -3: X=0.00000000 Y=0.00000000 Z=0.17770000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.00000000 Z=0.82230000 Sc NPT= 781 R0=.000050000 RMT= 2.50000 Z: 21.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.62150000 Y=0.25510000 Z=0.12050000 MULT= 4 ISPLIT= 8 -4: X=0.37850000 Y=0.74490000 Z=0.87950000 -4: X=0.37850000 Y=0.74490000 Z=0.12050000 -4: X=0.62150000 Y=0.25510000 Z=0.87950000 Sc NPT= 781 R0=.000050000 RMT= 2.50000 Z: 21.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.26280000 Y=0.24300000 Z=0.00000000 MULT= 2 ISPLIT= 8 -5: X=0.73720000 Y=0.75700000 Z=0.00000000 Sc NPT= 781 R0=.000050000 RMT= 2.50000 Z: 21.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.00000000 Y=0.50000000 Z=0.15510000 MULT= 2 ISPLIT= 8 -6: X=0.00000000 Y=0.50000000 Z=0.84490000 Sc NPT= 781 R0=.000050000 RMT= 2.50000 Z: 21.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000