R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 14.864586 14.864586 15.423943 90.000000 90.000000120.000000                   
ATOM  -1: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Nb         NPT=  781  R0=.000010000 RMT= 1.81        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  -3: X=0.19320000 Y=0.29201000 Z=0.91910000
          MULT= 6          ISPLIT= 8
      -3: X=0.80680000 Y=0.70799000 Z=0.08090000
      -3: X=0.29201000 Y=0.91910000 Z=0.19320000
      -3: X=0.70799000 Y=0.08090000 Z=0.80680000
      -3: X=0.91910000 Y=0.19320000 Z=0.29201000
      -3: X=0.08090000 Y=0.80680000 Z=0.70799000
F          NPT=  781  R0=.000100000 RMT= 1.72        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000