CXY LATTICE,NONEQUIV.ATOMS   7   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.494199 25.001077 26.323885 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.21570000 Y=0.12520000 Z=0.12020000
          MULT= 4          ISPLIT= 8
      -1: X=0.78430000 Y=0.87480000 Z=0.62020000
      -1: X=0.78430000 Y=0.12520000 Z=0.12020000
      -1: X=0.21570000 Y=0.87480000 Z=0.62020000
Nb         NPT=  781  R0=.000010000 RMT= 2.43        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25400000 Y=0.49350000 Z=0.46770000
          MULT= 4          ISPLIT= 8
      -2: X=0.74600000 Y=0.50650000 Z=0.96770000
      -2: X=0.74600000 Y=0.49350000 Z=0.46770000
      -2: X=0.25400000 Y=0.50650000 Z=0.96770000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.24510000 Y=0.23400000 Z=0.28340000
          MULT= 4          ISPLIT= 8
      -3: X=0.75490000 Y=0.76600000 Z=0.78340000
      -3: X=0.75490000 Y=0.23400000 Z=0.28340000
      -3: X=0.24510000 Y=0.76600000 Z=0.78340000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
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=0.26190000 Z=0.03420000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.73810000 Z=0.53420000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.01140000 Z=0.71020000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.98860000 Z=0.21020000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.25570000 Z=0.54440000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.74430000 Z=0.04440000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.00000000 Y=0.50770000 Z=0.19990000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.49230000 Z=0.69990000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000