CXZ LATTICE,NONEQUIV.ATOMS   6    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 12.719747 12.062122 11.232532 90.000000 90.000000 88.820000                   
ATOM  -1: X=0.77000000 Y=0.23700000 Z=0.35000000
          MULT= 2          ISPLIT= 8
      -1: X=0.23000000 Y=0.76300000 Z=0.35000000
N          NPT=  781  R0=.000100000 RMT= 2.49        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.78500000 Y=0.76800000 Z=0.34800000
          MULT= 2          ISPLIT= 8
      -2: X=0.21500000 Y=0.23200000 Z=0.34800000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.50000000 Z=0.08400000
          MULT= 1          ISPLIT= 8
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
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=0.50000000 Z=0.61700000
          MULT= 1          ISPLIT= 8
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.63100000
          MULT= 1          ISPLIT= 8
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00000000 Y=0.00000000 Z=0.09300000
          MULT= 1          ISPLIT= 8
Li         NPT=  781  R0=.000100000 RMT= 2.18        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000