R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 19.347018 19.347018 18.018538 90.000000 90.000000120.000000                   
ATOM  -1: X=0.22123000 Y=0.33153000 Z=0.01988000
          MULT= 6          ISPLIT= 8
      -1: X=0.77877000 Y=0.66847000 Z=0.98012000
      -1: X=0.33153000 Y=0.01988000 Z=0.22123000
      -1: X=0.66847000 Y=0.98012000 Z=0.77877000
      -1: X=0.01988000 Y=0.22123000 Z=0.33153000
      -1: X=0.98012000 Y=0.77877000 Z=0.66847000
S          NPT=  781  R0=.000100000 RMT= 1.44        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.39003000 Y=0.51531000 Z=0.17124000
          MULT= 6          ISPLIT= 8
      -2: X=0.60997000 Y=0.48469000 Z=0.82876000
      -2: X=0.51531000 Y=0.17124000 Z=0.39003000
      -2: X=0.48469000 Y=0.82876000 Z=0.60997000
      -2: X=0.17124000 Y=0.39003000 Z=0.51531000
      -2: X=0.82876000 Y=0.60997000 Z=0.48469000
F          NPT=  781  R0=.000100000 RMT= 1.59        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.32819000 Y=0.13867000 Z=0.03321000
          MULT= 6          ISPLIT= 8
      -3: X=0.67181000 Y=0.86133000 Z=0.96679000
      -3: X=0.13867000 Y=0.03321000 Z=0.32819000
      -3: X=0.86133000 Y=0.96679000 Z=0.67181000
      -3: X=0.03321000 Y=0.32819000 Z=0.13867000
      -3: X=0.96679000 Y=0.67181000 Z=0.86133000
N          NPT=  781  R0=.000100000 RMT= 1.49        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000