P   LATTICE,NONEQUIV.ATOMS   4  137 P42/nmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 14.171056 14.171056 10.215293 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.00160000 Z=0.05200000
          MULT= 8          ISPLIT= 8
      -1: X=0.75000000 Y=0.99840000 Z=0.94800000
      -1: X=0.49840000 Y=0.25000000 Z=0.55200000
      -1: X=0.50160000 Y=0.75000000 Z=0.44800000
      -1: X=0.25000000 Y=0.49840000 Z=0.05200000
      -1: X=0.75000000 Y=0.50160000 Z=0.94800000
      -1: X=0.00160000 Y=0.25000000 Z=0.55200000
      -1: X=0.99840000 Y=0.75000000 Z=0.44800000
Cd         NPT=  781  R0=.000010000 RMT= 2.18        Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.54120000 Y=0.45880000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -2: X=0.45880000 Y=0.54120000 Z=0.75000000
      -2: X=0.04120000 Y=0.54120000 Z=0.75000000
      -2: X=0.95880000 Y=0.45880000 Z=0.25000000
      -2: X=0.95880000 Y=0.04120000 Z=0.25000000
      -2: X=0.04120000 Y=0.95880000 Z=0.75000000
      -2: X=0.45880000 Y=0.95880000 Z=0.75000000
      -2: X=0.54120000 Y=0.04120000 Z=0.25000000
F          NPT=  781  R0=.000100000 RMT= 1.97        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.25000000 Z=0.33090000
          MULT= 4          ISPLIT= 8
      -3: X=0.75000000 Y=0.75000000 Z=0.66910000
      -3: X=0.25000000 Y=0.25000000 Z=0.83090000
      -3: X=0.75000000 Y=0.75000000 Z=0.16910000
F          NPT=  781  R0=.000100000 RMT= 1.97        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.75000000 Y=0.25000000 Z=0.75000000
          MULT= 2          ISPLIT=-2
      -4: X=0.25000000 Y=0.75000000 Z=0.25000000
O          NPT=  781  R0=.000100000 RMT= 1.88        Z:   8.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000