R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.473208 18.473208 21.938774 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
Nb         NPT=  781  R0=.000010000 RMT= 1.97        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.27782000 Y=0.94512000 Z=0.07412000
          MULT=12          ISPLIT= 8
      -2: X=0.72218000 Y=0.05488000 Z=0.92588000
      -2: X=0.94512000 Y=0.07412000 Z=0.27782000
      -2: X=0.05488000 Y=0.92588000 Z=0.72218000
      -2: X=0.77782000 Y=0.57412000 Z=0.44512000
      -2: X=0.22218000 Y=0.42588000 Z=0.55488000
      -2: X=0.07412000 Y=0.27782000 Z=0.94512000
      -2: X=0.92588000 Y=0.72218000 Z=0.05488000
      -2: X=0.57412000 Y=0.44512000 Z=0.77782000
      -2: X=0.42588000 Y=0.55488000 Z=0.22218000
      -2: X=0.44512000 Y=0.77782000 Z=0.57412000
      -2: X=0.55488000 Y=0.22218000 Z=0.42588000
O          NPT=  781  R0=.000100000 RMT= 1.79        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.60249000 Y=0.89751000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.39751000 Y=0.10249000 Z=0.75000000
      -3: X=0.89751000 Y=0.25000000 Z=0.60249000
      -3: X=0.10249000 Y=0.75000000 Z=0.39751000
      -3: X=0.25000000 Y=0.60249000 Z=0.89751000
      -3: X=0.75000000 Y=0.39751000 Z=0.10249000
Sr         NPT=  781  R0=.000010000 RMT= 2.38        Z:  38.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -4: X=0.75000000 Y=0.75000000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.25        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000