B   LATTICE,NONEQUIV.ATOMS   3  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 16.379201 16.379201 15.813984 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.64983000 Y=0.14983000 Z=0.16526000
          MULT= 8          ISPLIT= 8
      -1: X=0.35017000 Y=0.85017000 Z=0.83474000
      -1: X=0.85017000 Y=0.64983000 Z=0.16526000
      -1: X=0.14983000 Y=0.35017000 Z=0.83474000
      -1: X=0.35017000 Y=0.85017000 Z=0.16526000
      -1: X=0.64983000 Y=0.14983000 Z=0.83474000
      -1: X=0.14983000 Y=0.35017000 Z=0.16526000
      -1: X=0.85017000 Y=0.64983000 Z=0.83474000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.14660000 Y=0.64660000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.85340000 Y=0.35340000 Z=0.00000000
      -2: X=0.35340000 Y=0.14660000 Z=0.00000000
      -2: X=0.64660000 Y=0.85340000 Z=0.00000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -3: X=0.00000000 Y=0.00000000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000