R   LATTICE,NONEQUIV.ATOMS   4  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 25.955577 25.955577 11.165252 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Au         NPT=  781  R0=.000005000 RMT= 2.50000     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  -2: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Au         NPT=  781  R0=.000005000 RMT= 2.50000     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=0.44312000 Y=0.77710000 Z=0.94205000
          MULT= 6          ISPLIT= 8
      -3: X=0.55688000 Y=0.22290000 Z=0.05795000
      -3: X=0.77710000 Y=0.94205000 Z=0.44312000
      -3: X=0.22290000 Y=0.05795000 Z=0.55688000
      -3: X=0.94205000 Y=0.44312000 Z=0.77710000
      -3: X=0.05795000 Y=0.55688000 Z=0.22290000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     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  -4: X=0.28053000 Y=0.40054000 Z=0.02720000
          MULT= 6          ISPLIT= 8
      -4: X=0.71947000 Y=0.59946000 Z=0.97280000
      -4: X=0.40054000 Y=0.02720000 Z=0.28053000
      -4: X=0.59946000 Y=0.97280000 Z=0.71947000
      -4: X=0.02720000 Y=0.28053000 Z=0.40054000
      -4: X=0.97280000 Y=0.71947000 Z=0.59946000
Ca         NPT=  781  R0=.000050000 RMT= 2.49        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000