P   LATTICE,NONEQUIV.ATOMS   8  221 Pm-3m   
MODE OF CALC=RELA unit=bohr
 16.310226 16.310226 16.310226 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
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50000000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT=15
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
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= 1          ISPLIT=15
Bi         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  83.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25220000 Y=0.25220000 Z=0.25220000
          MULT= 8          ISPLIT=15
      -4: X=0.74780000 Y=0.74780000 Z=0.74780000
      -4: X=0.74780000 Y=0.25220000 Z=0.25220000
      -4: X=0.25220000 Y=0.74780000 Z=0.74780000
      -4: X=0.74780000 Y=0.74780000 Z=0.25220000
      -4: X=0.25220000 Y=0.25220000 Z=0.74780000
      -4: X=0.25220000 Y=0.74780000 Z=0.25220000
      -4: X=0.74780000 Y=0.25220000 Z=0.74780000
K          NPT=  781  R0=.000050000 RMT=   2.00000   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  -5: X=0.24600000 Y=0.50000000 Z=0.00000000
          MULT=12          ISPLIT=15
      -5: X=0.75400000 Y=0.50000000 Z=0.00000000
      -5: X=0.50000000 Y=0.24600000 Z=0.00000000
      -5: X=0.50000000 Y=0.75400000 Z=0.00000000
      -5: X=0.00000000 Y=0.24600000 Z=0.50000000
      -5: X=0.00000000 Y=0.75400000 Z=0.50000000
      -5: X=0.75400000 Y=0.00000000 Z=0.50000000
      -5: X=0.24600000 Y=0.00000000 Z=0.50000000
      -5: X=0.00000000 Y=0.50000000 Z=0.24600000
      -5: X=0.00000000 Y=0.50000000 Z=0.75400000
      -5: X=0.50000000 Y=0.00000000 Z=0.24600000
      -5: X=0.50000000 Y=0.00000000 Z=0.75400000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.26800000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=15
      -6: X=0.73200000 Y=0.00000000 Z=0.00000000
      -6: X=0.00000000 Y=0.26800000 Z=0.00000000
      -6: X=0.00000000 Y=0.73200000 Z=0.00000000
      -6: X=0.00000000 Y=0.00000000 Z=0.26800000
      -6: X=0.00000000 Y=0.00000000 Z=0.73200000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.21800000 Y=0.50000000 Z=0.50000000
          MULT= 6          ISPLIT=15
      -7: X=0.78200000 Y=0.50000000 Z=0.50000000
      -7: X=0.50000000 Y=0.21800000 Z=0.50000000
      -7: X=0.50000000 Y=0.78200000 Z=0.50000000
      -7: X=0.50000000 Y=0.50000000 Z=0.21800000
      -7: X=0.50000000 Y=0.50000000 Z=0.78200000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT=15
K          NPT=  781  R0=.000050000 RMT=   2.00000   Z:  19.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000