R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 25.772086 25.772086 36.622890 90.000000 90.000000120.000000                   
ATOM  -1: X=0.90950000 Y=0.59050000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.09050000 Y=0.40950000 Z=0.75000000
      -1: X=0.59050000 Y=0.25000000 Z=0.90950000
      -1: X=0.40950000 Y=0.75000000 Z=0.09050000
      -1: X=0.25000000 Y=0.90950000 Z=0.59050000
      -1: X=0.75000000 Y=0.09050000 Z=0.40950000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.14960000 Y=0.14960000 Z=0.14960000
          MULT= 4          ISPLIT= 4
      -2: X=0.85040000 Y=0.85040000 Z=0.85040000
      -2: X=0.64960000 Y=0.64960000 Z=0.64960000
      -2: X=0.35040000 Y=0.35040000 Z=0.35040000
Y          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.40580000 Y=0.09420000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.59420000 Y=0.90580000 Z=0.75000000
      -3: X=0.09420000 Y=0.25000000 Z=0.40580000
      -3: X=0.90580000 Y=0.75000000 Z=0.59420000
      -3: X=0.25000000 Y=0.40580000 Z=0.09420000
      -3: X=0.75000000 Y=0.59420000 Z=0.90580000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.26860000 Y=0.08031000 Z=0.91500000
          MULT=12          ISPLIT= 8
      -4: X=0.73140000 Y=0.91969000 Z=0.08500000
      -4: X=0.08031000 Y=0.91500000 Z=0.26860000
      -4: X=0.91969000 Y=0.08500000 Z=0.73140000
      -4: X=0.76860000 Y=0.41500000 Z=0.58031000
      -4: X=0.23140000 Y=0.58500000 Z=0.41969000
      -4: X=0.91500000 Y=0.26860000 Z=0.08031000
      -4: X=0.08500000 Y=0.73140000 Z=0.91969000
      -4: X=0.41500000 Y=0.58031000 Z=0.76860000
      -4: X=0.58500000 Y=0.41969000 Z=0.23140000
      -4: X=0.58031000 Y=0.76860000 Z=0.41500000
      -4: X=0.41969000 Y=0.23140000 Z=0.58500000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000