CXY LATTICE,NONEQUIV.ATOMS   7   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 24.616517 14.399524 12.731841 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.28210000 Z=0.12200000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.71790000 Z=0.62200000
Ba         NPT=  781  R0=.000010000 RMT= 2.47        Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.38520000 Y=0.30300000 Z=0.11900000
          MULT= 4          ISPLIT= 8
      -2: X=0.61480000 Y=0.69700000 Z=0.61900000
      -2: X=0.61480000 Y=0.30300000 Z=0.11900000
      -2: X=0.38520000 Y=0.69700000 Z=0.61900000
Si         NPT=  781  R0=.000100000 RMT= 1.38        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.23010000 Y=0.49400000 Z=0.38800000
          MULT= 4          ISPLIT= 8
      -3: X=0.76990000 Y=0.50600000 Z=0.88800000
      -3: X=0.76990000 Y=0.49400000 Z=0.38800000
      -3: X=0.23010000 Y=0.50600000 Z=0.88800000
Zn         NPT=  781  R0=.000050000 RMT= 1.94        Z:  30.00000              
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=0.11030000 Z=0.63600000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.88970000 Z=0.13600000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.37950000 Y=0.17190000 Z=0.30200000
          MULT= 4          ISPLIT= 8
      -5: X=0.62050000 Y=0.82810000 Z=0.80200000
      -5: X=0.62050000 Y=0.17190000 Z=0.30200000
      -5: X=0.37950000 Y=0.82810000 Z=0.80200000
O          NPT=  781  R0=.000100000 RMT= 1.60        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=0.13640000 Y=0.29980000 Z=0.40900000
          MULT= 4          ISPLIT= 8
      -6: X=0.86360000 Y=0.70020000 Z=0.90900000
      -6: X=0.86360000 Y=0.29980000 Z=0.40900000
      -6: X=0.13640000 Y=0.70020000 Z=0.90900000
O          NPT=  781  R0=.000100000 RMT= 1.60        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  -7: X=0.30370000 Y=0.46630000 Z=0.13500000
          MULT= 4          ISPLIT= 8
      -7: X=0.69630000 Y=0.53370000 Z=0.63500000
      -7: X=0.69630000 Y=0.46630000 Z=0.13500000
      -7: X=0.30370000 Y=0.53370000 Z=0.63500000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000