R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.608923 10.608923 50.621983 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33560000 Y=0.33560000 Z=0.33560000
          MULT= 2          ISPLIT= 4
      -1: X=0.66440000 Y=0.66440000 Z=0.66440000
Ag         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  47.00000              
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
Al         NPT=  781  R0=.000100000 RMT= 2.36        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.58100000 Y=0.09201000 Z=0.58100000
          MULT= 6          ISPLIT= 8
      -3: X=0.41900000 Y=0.90799000 Z=0.41900000
      -3: X=0.09201000 Y=0.58100000 Z=0.58100000
      -3: X=0.90799000 Y=0.41900000 Z=0.41900000
      -3: X=0.58100000 Y=0.58100000 Z=0.09201000
      -3: X=0.41900000 Y=0.41900000 Z=0.90799000
Al         NPT=  781  R0=.000100000 RMT= 2.36        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     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  -5: X=0.14290000 Y=0.14290000 Z=0.14290000
          MULT= 2          ISPLIT= 4
      -5: X=0.85710000 Y=0.85710000 Z=0.85710000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000