CXZ LATTICE,NONEQUIV.ATOMS   7    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 17.366583 16.856357 13.039110 90.000000 90.000000 78.800000                   
ATOM  -1: X=0.70960000 Y=0.26160000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.29040000 Y=0.73840000 Z=0.00000000
As         NPT=  781  R0=.000050000 RMT= 1.89        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.72900000 Y=0.63800000 Z=0.29000000
          MULT= 2          ISPLIT= 8
      -2: X=0.27100000 Y=0.36200000 Z=0.29000000
C          NPT=  781  R0=.000100000 RMT= 1.04        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=0.88700000 Y=0.25500000 Z=0.12300000
          MULT= 2          ISPLIT= 8
      -3: X=0.11300000 Y=0.74500000 Z=0.12300000
C          NPT=  781  R0=.000100000 RMT= 1.04        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=0.28700000 Y=0.07000000 Z=0.36500000
          MULT= 2          ISPLIT= 8
      -4: X=0.71300000 Y=0.93000000 Z=0.36500000
C          NPT=  781  R0=.000100000 RMT= 1.04        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  -5: X=0.68800000 Y=0.55700000 Z=0.17300000
          MULT= 2          ISPLIT= 8
      -5: X=0.31200000 Y=0.44300000 Z=0.17300000
N          NPT=  781  R0=.000100000 RMT= 1.09        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  -6: X=0.99200000 Y=0.24500000 Z=0.21300000
          MULT= 2          ISPLIT= 8
      -6: X=0.00800000 Y=0.75500000 Z=0.21300000
N          NPT=  781  R0=.000100000 RMT= 1.09        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  -7: X=0.68300000 Y=0.05100000 Z=0.30400000
          MULT= 2          ISPLIT= 8
      -7: X=0.31700000 Y=0.94900000 Z=0.30400000
N          NPT=  781  R0=.000100000 RMT= 1.09        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000