R   LATTICE,NONEQUIV.ATOMS   7  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.918504 11.918504 57.801055 90.000000 90.000000120.000000                   
ATOM  -1: X=0.36641000 Y=0.36641000 Z=0.36641000
          MULT= 2          ISPLIT= 4
      -1: X=0.63359000 Y=0.63359000 Z=0.63359000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.21377000 Y=0.21377000 Z=0.21377000
          MULT= 2          ISPLIT= 4
      -2: X=0.78623000 Y=0.78623000 Z=0.78623000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
K          NPT=  781  R0=.000050000 RMT= 2.34        Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Li         NPT=  781  R0=.000100000 RMT= 1.67        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.08456000 Y=0.08456000 Z=0.08456000
          MULT= 2          ISPLIT= 4
      -5: X=0.91544000 Y=0.91544000 Z=0.91544000
Ga         NPT=  781  R0=.000050000 RMT= 1.80        Z:  31.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.90870000 Y=0.31789000 Z=0.90870000
          MULT= 6          ISPLIT= 8
      -6: X=0.09130000 Y=0.68211000 Z=0.09130000
      -6: X=0.31789000 Y=0.90870000 Z=0.90870000
      -6: X=0.68211000 Y=0.09130000 Z=0.09130000
      -6: X=0.90870000 Y=0.90870000 Z=0.31789000
      -6: X=0.09130000 Y=0.09130000 Z=0.68211000
F          NPT=  781  R0=.000100000 RMT= 1.71        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=0.73870000 Y=0.16790000 Z=0.73870000
          MULT= 6          ISPLIT= 8
      -7: X=0.26130000 Y=0.83210000 Z=0.26130000
      -7: X=0.16790000 Y=0.73870000 Z=0.73870000
      -7: X=0.83210000 Y=0.26130000 Z=0.26130000
      -7: X=0.73870000 Y=0.73870000 Z=0.16790000
      -7: X=0.26130000 Y=0.26130000 Z=0.83210000
F          NPT=  781  R0=.000100000 RMT= 1.71        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000