R   LATTICE,NONEQUIV.ATOMS   7  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.532708 13.532708 33.248221 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Ca         NPT=  781  R0=.000050000 RMT= 2.01        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=0.50000000
          MULT= 3          ISPLIT= 8
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
      -2: X=0.50000000 Y=0.00000000 Z=0.00000000
Na         NPT=  781  R0=.000100000 RMT= 2.01        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Al         NPT=  781  R0=.000100000 RMT= 1.67        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  -4: X=0.50000000 Y=0.50000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -4: X=0.50000000 Y=0.00000000 Z=0.50000000
      -4: X=0.00000000 Y=0.50000000 Z=0.50000000
Mg         NPT=  781  R0=.000100000 RMT= 1.80        Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.82900000 Y=0.42221000 Z=0.82900000
          MULT= 6          ISPLIT= 8
      -5: X=0.17100000 Y=0.57779000 Z=0.17100000
      -5: X=0.42221000 Y=0.82900000 Z=0.82900000
      -5: X=0.57779000 Y=0.17100000 Z=0.17100000
      -5: X=0.82900000 Y=0.82900000 Z=0.42221000
      -5: X=0.17100000 Y=0.17100000 Z=0.57779000
F          NPT=  781  R0=.000100000 RMT= 1.75        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.56290000 Y=0.19931000 Z=0.56290000
          MULT= 6          ISPLIT= 8
      -6: X=0.43710000 Y=0.80069000 Z=0.43710000
      -6: X=0.19931000 Y=0.56290000 Z=0.56290000
      -6: X=0.80069000 Y=0.43710000 Z=0.43710000
      -6: X=0.56290000 Y=0.56290000 Z=0.19931000
      -6: X=0.43710000 Y=0.43710000 Z=0.80069000
F          NPT=  781  R0=.000100000 RMT= 1.75        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.12460000 Y=0.12460000 Z=0.12460000
          MULT= 2          ISPLIT= 4
      -7: X=0.87540000 Y=0.87540000 Z=0.87540000
F          NPT=  781  R0=.000100000 RMT= 1.75        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000