CXY LATTICE,NONEQUIV.ATOMS 5 63 Cmcm MODE OF CALC=RELA unit=bohr 8.433848 20.407153 28.393135 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.36990000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.63010000 Z=0.75000000 Ca NPT= 781 R0=.000050000 RMT= 2.50000 Z: 20.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.08810000 Z=0.11050000 MULT= 4 ISPLIT= 8 -2: X=0.00000000 Y=0.91190000 Z=0.88950000 -2: X=0.00000000 Y=0.08810000 Z=0.38950000 -2: X=0.00000000 Y=0.91190000 Z=0.61050000 Ca NPT= 781 R0=.000050000 RMT= 2.50000 Z: 20.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.66330000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.33670000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.47 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.20790000 Z=0.59950000 MULT= 4 ISPLIT= 8 -4: X=0.00000000 Y=0.79210000 Z=0.40050000 -4: X=0.00000000 Y=0.20790000 Z=0.90050000 -4: X=0.00000000 Y=0.79210000 Z=0.09950000 Ga NPT= 781 R0=.000050000 RMT= 2.47 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -5: X=0.00000000 Y=0.38460000 Z=0.03410000 MULT= 4 ISPLIT= 8 -5: X=0.00000000 Y=0.61540000 Z=0.96590000 -5: X=0.00000000 Y=0.38460000 Z=0.46590000 -5: X=0.00000000 Y=0.61540000 Z=0.53410000 Ga NPT= 781 R0=.000050000 RMT= 2.47 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000