CXZ LATTICE,NONEQUIV.ATOMS   6   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.509798 11.213068 24.906590 90.000000 90.000000 57.311000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.79600000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.75000000 Z=0.20400000
Y          NPT=  781  R0=.000010000 RMT= 2.17        Z:  39.00000              
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=0.25000000 Z=0.06200000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.75000000 Z=0.93800000
Y          NPT=  781  R0=.000010000 RMT= 2.17        Z:  39.00000              
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=0.25000000 Z=0.31200000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.75000000 Z=0.68800000
Na         NPT=  781  R0=.000100000 RMT= 2.19        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=0.25000000 Z=0.56200000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.75000000 Z=0.43800000
Na         NPT=  781  R0=.000100000 RMT= 2.19        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=0.76900000 Y=0.21200000 Z=0.18750000
          MULT= 4          ISPLIT= 8
      -5: X=0.23100000 Y=0.78800000 Z=0.81250000
      -5: X=0.23100000 Y=0.28800000 Z=0.18750000
      -5: X=0.76900000 Y=0.71200000 Z=0.81250000
O          NPT=  781  R0=.000100000 RMT= 1.96        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  -6: X=0.71000000 Y=0.29000000 Z=0.43800000
          MULT= 4          ISPLIT= 8
      -6: X=0.29000000 Y=0.71000000 Z=0.56200000
      -6: X=0.29000000 Y=0.21000000 Z=0.43800000
      -6: X=0.71000000 Y=0.79000000 Z=0.56200000
O          NPT=  781  R0=.000100000 RMT= 1.96        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000