B   LATTICE,NONEQUIV.ATOMS   3   88 I41/a                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.313412 11.313412 18.978520 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.62500000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.75000000 Z=0.37500000
Ca         NPT=  781  R0=.000050000 RMT= 2.31        Z:  20.00000              
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=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.25000000 Y=0.75000000 Z=0.75000000
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
      -2: X=0.25000000 Y=0.25000000 Z=0.25000000
Au         NPT=  781  R0=.000005000 RMT= 2.07        Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.29640000 Y=0.09640000 Z=0.07500000
          MULT= 8          ISPLIT= 8
      -3: X=0.70360000 Y=0.90360000 Z=0.92500000
      -3: X=0.15360000 Y=0.04640000 Z=0.82500000
      -3: X=0.34640000 Y=0.45360000 Z=0.67500000
      -3: X=0.70360000 Y=0.40360000 Z=0.07500000
      -3: X=0.29640000 Y=0.59640000 Z=0.92500000
      -3: X=0.34640000 Y=0.95360000 Z=0.32500000
      -3: X=0.15360000 Y=0.54640000 Z=0.17500000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000