P   LATTICE,NONEQUIV.ATOMS   5  221 Pm-3m   
MODE OF CALC=RELA unit=bohr
 17.525320 17.525320 17.525320 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.50000000
          MULT= 3          ISPLIT=15
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
Cd         NPT=  781  R0=.000010000 RMT=   2.00000   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=0.34600000 Y=0.34600000 Z=0.34600000
          MULT= 8          ISPLIT=15
      -3: X=0.65400000 Y=0.65400000 Z=0.65400000
      -3: X=0.65400000 Y=0.34600000 Z=0.34600000
      -3: X=0.34600000 Y=0.65400000 Z=0.65400000
      -3: X=0.65400000 Y=0.65400000 Z=0.34600000
      -3: X=0.34600000 Y=0.34600000 Z=0.65400000
      -3: X=0.34600000 Y=0.65400000 Z=0.34600000
      -3: X=0.65400000 Y=0.34600000 Z=0.65400000
Cd         NPT=  781  R0=.000010000 RMT=   2.00000   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  -4: X=0.50000000 Y=0.15400000 Z=0.15400000
          MULT=12          ISPLIT=15
      -4: X=0.50000000 Y=0.84600000 Z=0.84600000
      -4: X=0.84600000 Y=0.50000000 Z=0.15400000
      -4: X=0.15400000 Y=0.50000000 Z=0.84600000
      -4: X=0.15400000 Y=0.50000000 Z=0.15400000
      -4: X=0.84600000 Y=0.50000000 Z=0.84600000
      -4: X=0.50000000 Y=0.84600000 Z=0.15400000
      -4: X=0.50000000 Y=0.15400000 Z=0.84600000
      -4: X=0.15400000 Y=0.84600000 Z=0.50000000
      -4: X=0.84600000 Y=0.15400000 Z=0.50000000
      -4: X=0.15400000 Y=0.15400000 Z=0.50000000
      -4: X=0.84600000 Y=0.84600000 Z=0.50000000
Cd         NPT=  781  R0=.000010000 RMT=   2.00000   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=0.00000000 Y=0.23200000 Z=0.23200000
          MULT=12          ISPLIT=15
      -5: X=0.00000000 Y=0.76800000 Z=0.76800000
      -5: X=0.76800000 Y=0.00000000 Z=0.23200000
      -5: X=0.23200000 Y=0.00000000 Z=0.76800000
      -5: X=0.23200000 Y=0.00000000 Z=0.23200000
      -5: X=0.76800000 Y=0.00000000 Z=0.76800000
      -5: X=0.00000000 Y=0.76800000 Z=0.23200000
      -5: X=0.00000000 Y=0.23200000 Z=0.76800000
      -5: X=0.23200000 Y=0.76800000 Z=0.00000000
      -5: X=0.76800000 Y=0.23200000 Z=0.00000000
      -5: X=0.23200000 Y=0.23200000 Z=0.00000000
      -5: X=0.76800000 Y=0.76800000 Z=0.00000000
Cd         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  48.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000