CXZ LATTICE,NONEQUIV.ATOMS   5    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 20.122938 10.657300 10.431666 90.000000 90.000000 64.077000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.26132000
          MULT= 1          ISPLIT= 8
C          NPT=  781  R0=.000100000 RMT= 1.27        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=0.58452000 Y=0.08008000 Z=0.61545000
          MULT= 2          ISPLIT= 8
      -2: X=0.41548000 Y=0.91992000 Z=0.61545000
O          NPT=  781  R0=.000100000 RMT= 1.40        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=0.90963000 Y=0.21623000 Z=0.41200000
          MULT= 2          ISPLIT= 8
      -3: X=0.09037000 Y=0.78377000 Z=0.41200000
O          NPT=  781  R0=.000100000 RMT= 1.40        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  -4: X=0.84921000 Y=0.48927000 Z=0.02577000
          MULT= 2          ISPLIT= 8
      -4: X=0.15079000 Y=0.51073000 Z=0.02577000
K          NPT=  781  R0=.000050000 RMT= 2.38        Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.63831000 Y=0.13353000 Z=0.12488000
          MULT= 2          ISPLIT= 8
      -5: X=0.36169000 Y=0.86647000 Z=0.12488000
K          NPT=  781  R0=.000050000 RMT= 2.38        Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000