CXY LATTICE,NONEQUIV.ATOMS   7   20 C2221                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.902380 21.240522 34.829542 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.07500000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.92500000 Z=0.75000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.19600000 Y=0.35500000 Z=0.26990000
          MULT= 4          ISPLIT= 8
      -2: X=0.80400000 Y=0.64500000 Z=0.76990000
      -2: X=0.19600000 Y=0.64500000 Z=0.73010000
      -2: X=0.80400000 Y=0.35500000 Z=0.23010000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.37800000 Y=0.12700000 Z=0.18140000
          MULT= 4          ISPLIT= 8
      -3: X=0.62200000 Y=0.87300000 Z=0.68140000
      -3: X=0.37800000 Y=0.87300000 Z=0.81860000
      -3: X=0.62200000 Y=0.12700000 Z=0.31860000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.01300000 Y=0.42000000 Z=0.07130000
          MULT= 4          ISPLIT= 8
      -4: X=0.98700000 Y=0.58000000 Z=0.57130000
      -4: X=0.01300000 Y=0.58000000 Z=0.92870000
      -4: X=0.98700000 Y=0.42000000 Z=0.42870000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.41900000 Y=0.39300000 Z=0.11290000
          MULT= 4          ISPLIT= 8
      -5: X=0.58100000 Y=0.60700000 Z=0.61290000
      -5: X=0.41900000 Y=0.60700000 Z=0.88710000
      -5: X=0.58100000 Y=0.39300000 Z=0.38710000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.14000000 Y=0.13080000 Z=0.03610000
          MULT= 4          ISPLIT= 8
      -6: X=0.86000000 Y=0.86920000 Z=0.53610000
      -6: X=0.14000000 Y=0.86920000 Z=0.96390000
      -6: X=0.86000000 Y=0.13080000 Z=0.46390000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.24400000 Y=0.17500000 Z=0.41390000
          MULT= 4          ISPLIT= 8
      -7: X=0.75600000 Y=0.82500000 Z=0.91390000
      -7: X=0.24400000 Y=0.82500000 Z=0.58610000
      -7: X=0.75600000 Y=0.17500000 Z=0.08610000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000