P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 27.871571 20.809664 12.853917 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.29350000 Y=0.25000000 Z=0.24150000
          MULT= 4          ISPLIT= 8
      -1: X=0.70650000 Y=0.75000000 Z=0.75850000
      -1: X=0.79350000 Y=0.25000000 Z=0.25850000
      -1: X=0.20650000 Y=0.75000000 Z=0.74150000
Cd         NPT=  781  R0=.000010000 RMT= 2.50        Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.25500000 Y=0.59410000 Z=0.30900000
          MULT= 8          ISPLIT= 8
      -2: X=0.74500000 Y=0.40590000 Z=0.69100000
      -2: X=0.75500000 Y=0.59410000 Z=0.19100000
      -2: X=0.24500000 Y=0.40590000 Z=0.80900000
      -2: X=0.24500000 Y=0.09410000 Z=0.80900000
      -2: X=0.75500000 Y=0.90590000 Z=0.19100000
      -2: X=0.74500000 Y=0.09410000 Z=0.69100000
      -2: X=0.25500000 Y=0.90590000 Z=0.30900000
Cd         NPT=  781  R0=.000010000 RMT= 2.50        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  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.50000000 Y=0.00000000 Z=0.50000000
      -3: X=0.50000000 Y=0.50000000 Z=0.50000000
      -3: X=0.00000000 Y=0.50000000 Z=0.00000000
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=0.03660000 Y=0.25000000 Z=0.52340000
          MULT= 4          ISPLIT= 8
      -4: X=0.96340000 Y=0.75000000 Z=0.47660000
      -4: X=0.53660000 Y=0.25000000 Z=0.97660000
      -4: X=0.46340000 Y=0.75000000 Z=0.02340000
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  -5: X=0.34800000 Y=0.25000000 Z=0.60390000
          MULT= 4          ISPLIT= 8
      -5: X=0.65200000 Y=0.75000000 Z=0.39610000
      -5: X=0.84800000 Y=0.25000000 Z=0.89610000
      -5: X=0.15200000 Y=0.75000000 Z=0.10390000
Se         NPT=  781  R0=.000050000 RMT= 2.37        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.14020000 Y=0.25000000 Z=0.03630000
          MULT= 4          ISPLIT= 8
      -6: X=0.85980000 Y=0.75000000 Z=0.96370000
      -6: X=0.64020000 Y=0.25000000 Z=0.46370000
      -6: X=0.35980000 Y=0.75000000 Z=0.53630000
Se         NPT=  781  R0=.000050000 RMT= 2.37        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.36250000 Y=0.03680000 Z=0.08950000
          MULT= 8          ISPLIT= 8
      -7: X=0.63750000 Y=0.96320000 Z=0.91050000
      -7: X=0.86250000 Y=0.03680000 Z=0.41050000
      -7: X=0.13750000 Y=0.96320000 Z=0.58950000
      -7: X=0.13750000 Y=0.53680000 Z=0.58950000
      -7: X=0.86250000 Y=0.46320000 Z=0.41050000
      -7: X=0.63750000 Y=0.53680000 Z=0.91050000
      -7: X=0.36250000 Y=0.46320000 Z=0.08950000
Se         NPT=  781  R0=.000050000 RMT= 2.37        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000