CXZ LATTICE,NONEQUIV.ATOMS   5    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 16.937804  9.205234  9.410080 90.000000 90.000000 69.873000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.19884000
          MULT= 1          ISPLIT= 8
C          NPT=  781  R0=.000100000 RMT= 1.22        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=0.61406000 Y=0.03816000 Z=0.53452000
          MULT= 2          ISPLIT= 8
      -2: X=0.38594000 Y=0.96184000 Z=0.53452000
O          NPT=  781  R0=.000100000 RMT= 1.35        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=0.91822000 Y=0.25455000 Z=0.37127000
          MULT= 2          ISPLIT= 8
      -3: X=0.08178000 Y=0.74545000 Z=0.37127000
O          NPT=  781  R0=.000100000 RMT= 1.35        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=0.76804000 Y=0.67447000 Z=0.17518000
          MULT= 2          ISPLIT= 8
      -4: X=0.23196000 Y=0.32553000 Z=0.17518000
Na         NPT=  781  R0=.000100000 RMT= 2.01        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=0.61886000 Y=0.22975000 Z=0.12838000
          MULT= 2          ISPLIT= 8
      -5: X=0.38114000 Y=0.77025000 Z=0.12838000
Na         NPT=  781  R0=.000100000 RMT= 2.01        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000