CXZ LATTICE,NONEQUIV.ATOMS   5   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.317905 10.317905 17.871140 90.000000 90.000000 70.530000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
C          NPT=  781  R0=.000100000 RMT= 1.82        Z:   6.00000              
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=0.50000000 Z=0.18000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.50000000 Z=0.82000000
C          NPT=  781  R0=.000100000 RMT= 1.82        Z:   6.00000              
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=0.00000000 Z=0.31600000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.00000000 Z=0.68400000
C          NPT=  781  R0=.000100000 RMT= 1.82        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.74500000 Y=0.74500000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.25500000 Y=0.25500000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 2.23        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  -5: X=0.73600000 Y=0.25000000 Z=0.16000000
          MULT= 4          ISPLIT= 8
      -5: X=0.26400000 Y=0.75000000 Z=0.84000000
      -5: X=0.26400000 Y=0.75000000 Z=0.16000000
      -5: X=0.73600000 Y=0.25000000 Z=0.84000000
Nb         NPT=  781  R0=.000010000 RMT= 2.23        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000