P   LATTICE,NONEQUIV.ATOMS   6   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.905911 12.547782 24.054324 90.000000 90.000000125.670000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.02110000 Y=0.27900000 Z=0.32160000
          MULT= 4          ISPLIT= 8
      -2: X=0.97890000 Y=0.72100000 Z=0.67840000
      -2: X=0.47890000 Y=0.22100000 Z=0.82160000
      -2: X=0.52110000 Y=0.77900000 Z=0.17840000
Rb         NPT=  781  R0=.000010000 RMT= 2.24        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=0.04570000 Y=0.75620000 Z=0.17850000
          MULT= 4          ISPLIT= 8
      -3: X=0.95430000 Y=0.24380000 Z=0.82150000
      -3: X=0.45430000 Y=0.74380000 Z=0.67850000
      -3: X=0.54570000 Y=0.25620000 Z=0.32150000
Se         NPT=  781  R0=.000050000 RMT= 1.74        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.23640000 Y=0.04480000 Z=0.42990000
          MULT= 4          ISPLIT= 8
      -4: X=0.76360000 Y=0.95520000 Z=0.57010000
      -4: X=0.26360000 Y=0.45520000 Z=0.92990000
      -4: X=0.73640000 Y=0.54480000 Z=0.07010000
Se         NPT=  781  R0=.000050000 RMT= 1.74        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.25330000 Y=0.47090000 Z=0.07440000
          MULT= 4          ISPLIT= 8
      -5: X=0.74670000 Y=0.52910000 Z=0.92560000
      -5: X=0.24670000 Y=0.02910000 Z=0.57440000
      -5: X=0.75330000 Y=0.97090000 Z=0.42560000
Se         NPT=  781  R0=.000050000 RMT= 1.74        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.12470000 Y=0.64840000 Z=0.04040000
          MULT= 4          ISPLIT= 8
      -6: X=0.87530000 Y=0.35160000 Z=0.95960000
      -6: X=0.37530000 Y=0.85160000 Z=0.54040000
      -6: X=0.62470000 Y=0.14840000 Z=0.45960000
P          NPT=  781  R0=.000100000 RMT= 1.84        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000