P LATTICE,NONEQUIV.ATOMS 4 126 P4/nnc MODE OF CALC=RELA unit=bohr 14.093578 14.093578 22.737185 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.25000000 Z=0.11933000 MULT= 4 ISPLIT=-2 -1: X=0.75000000 Y=0.75000000 Z=0.88067000 -1: X=0.75000000 Y=0.75000000 Z=0.61933000 -1: X=0.25000000 Y=0.25000000 Z=0.38067000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.25000000 Y=0.75000000 Z=0.00000000 MULT= 4 ISPLIT=-2 -2: X=0.75000000 Y=0.25000000 Z=0.00000000 -2: X=0.75000000 Y=0.25000000 Z=0.50000000 -2: X=0.25000000 Y=0.75000000 Z=0.50000000 Ga NPT= 781 R0=.000050000 RMT= 2.31 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=0.25000000 Y=0.75000000 Z=0.75000000 MULT= 4 ISPLIT= 8 -3: X=0.75000000 Y=0.25000000 Z=0.25000000 -3: X=0.75000000 Y=0.25000000 Z=0.75000000 -3: X=0.25000000 Y=0.75000000 Z=0.25000000 Ga NPT= 781 R0=.000050000 RMT= 2.31 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 -4: X=0.08120000 Y=0.59140000 Z=0.12540000 MULT=16 ISPLIT= 8 -4: X=0.91880000 Y=0.40860000 Z=0.87460000 -4: X=0.90860000 Y=0.08120000 Z=0.12540000 -4: X=0.09140000 Y=0.91880000 Z=0.87460000 -4: X=0.91880000 Y=0.09140000 Z=0.62540000 -4: X=0.08120000 Y=0.90860000 Z=0.37460000 -4: X=0.41880000 Y=0.90860000 Z=0.12540000 -4: X=0.58120000 Y=0.09140000 Z=0.87460000 -4: X=0.40860000 Y=0.91880000 Z=0.62540000 -4: X=0.59140000 Y=0.08120000 Z=0.37460000 -4: X=0.59140000 Y=0.41880000 Z=0.12540000 -4: X=0.40860000 Y=0.58120000 Z=0.87460000 -4: X=0.58120000 Y=0.40860000 Z=0.62540000 -4: X=0.41880000 Y=0.59140000 Z=0.37460000 -4: X=0.09140000 Y=0.58120000 Z=0.62540000 -4: X=0.90860000 Y=0.41880000 Z=0.37460000 S NPT= 781 R0=.000100000 RMT= 1.99 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000