CXY LATTICE,NONEQUIV.ATOMS   3   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.459515 13.190288 25.341227 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.34000000 Z=0.12200000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.66000000 Z=0.87800000
      -1: X=0.00000000 Y=0.84000000 Z=0.37800000
      -1: X=0.00000000 Y=0.16000000 Z=0.62200000
Se         NPT=  781  R0=.000050000 RMT= 1.87        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.18000000 Y=0.21000000 Z=0.12500000
          MULT= 8          ISPLIT= 8
      -2: X=0.82000000 Y=0.79000000 Z=0.87500000
      -2: X=0.18000000 Y=0.71000000 Z=0.37500000
      -2: X=0.82000000 Y=0.29000000 Z=0.62500000
      -2: X=0.82000000 Y=0.21000000 Z=0.12500000
      -2: X=0.18000000 Y=0.79000000 Z=0.87500000
      -2: X=0.82000000 Y=0.71000000 Z=0.37500000
      -2: X=0.18000000 Y=0.29000000 Z=0.62500000
C          NPT=  781  R0=.000100000 RMT= 1.35        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=0.32000000 Y=0.09000000 Z=0.12500000
          MULT= 8          ISPLIT= 8
      -3: X=0.68000000 Y=0.91000000 Z=0.87500000
      -3: X=0.32000000 Y=0.59000000 Z=0.37500000
      -3: X=0.68000000 Y=0.41000000 Z=0.62500000
      -3: X=0.68000000 Y=0.09000000 Z=0.12500000
      -3: X=0.32000000 Y=0.91000000 Z=0.87500000
      -3: X=0.68000000 Y=0.59000000 Z=0.37500000
      -3: X=0.32000000 Y=0.41000000 Z=0.62500000
N          NPT=  781  R0=.000100000 RMT= 1.42        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000