P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 27.045760 20.038656 12.923837 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.03326000 Y=0.25000000 Z=0.52180000
          MULT= 4          ISPLIT= 8
      -2: X=0.96674000 Y=0.75000000 Z=0.47820000
      -2: X=0.53326000 Y=0.25000000 Z=0.97820000
      -2: X=0.46674000 Y=0.75000000 Z=0.02180000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.29692000 Y=0.25000000 Z=0.27103000
          MULT= 4          ISPLIT= 8
      -3: X=0.70308000 Y=0.75000000 Z=0.72897000
      -3: X=0.79692000 Y=0.25000000 Z=0.22897000
      -3: X=0.20308000 Y=0.75000000 Z=0.77103000
Cd         NPT=  781  R0=.000010000 RMT= 2.49        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  -4: X=0.25335000 Y=0.59349000 Z=0.33627000
          MULT= 8          ISPLIT= 8
      -4: X=0.74665000 Y=0.40651000 Z=0.66373000
      -4: X=0.75335000 Y=0.59349000 Z=0.16373000
      -4: X=0.24665000 Y=0.40651000 Z=0.83627000
      -4: X=0.24665000 Y=0.09349000 Z=0.83627000
      -4: X=0.75335000 Y=0.90651000 Z=0.16373000
      -4: X=0.74665000 Y=0.09349000 Z=0.66373000
      -4: X=0.25335000 Y=0.90651000 Z=0.33627000
Cd         NPT=  781  R0=.000010000 RMT= 2.49        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  -5: X=0.13853000 Y=0.25000000 Z=0.06898000
          MULT= 4          ISPLIT= 8
      -5: X=0.86147000 Y=0.75000000 Z=0.93102000
      -5: X=0.63853000 Y=0.25000000 Z=0.43102000
      -5: X=0.36147000 Y=0.75000000 Z=0.56898000
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=0.35560000 Y=0.25000000 Z=0.62923000
          MULT= 4          ISPLIT= 8
      -6: X=0.64440000 Y=0.75000000 Z=0.37077000
      -6: X=0.85560000 Y=0.25000000 Z=0.87077000
      -6: X=0.14440000 Y=0.75000000 Z=0.12923000
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=0.36723000 Y=0.03209000 Z=0.11281000
          MULT= 8          ISPLIT= 8
      -7: X=0.63277000 Y=0.96791000 Z=0.88719000
      -7: X=0.86723000 Y=0.03209000 Z=0.38719000
      -7: X=0.13277000 Y=0.96791000 Z=0.61281000
      -7: X=0.13277000 Y=0.53209000 Z=0.61281000
      -7: X=0.86723000 Y=0.46791000 Z=0.38719000
      -7: X=0.63277000 Y=0.53209000 Z=0.88719000
      -7: X=0.36723000 Y=0.46791000 Z=0.11281000
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