P   LATTICE,NONEQUIV.ATOMS   7   11 P21/m   
MODE OF CALC=RELA unit=bohr
 13.935407 12.302873 11.316814 90.000000 90.000000108.535000
ATOM  -1: X=0.28804000 Y=0.20662000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -1: X=0.71196000 Y=0.79338000 Z=0.75000000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.92532000 Y=0.69806000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -2: X=0.07468000 Y=0.30194000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  56.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.44331000 Y=0.76077000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -3: X=0.55669000 Y=0.23923000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  56.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.13420000 Y=0.38090000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -4: X=0.86580000 Y=0.61910000 Z=0.75000000
N          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   7.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.53840000 Y=0.36770000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -5: X=0.46160000 Y=0.63230000 Z=0.75000000
N          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   7.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.23780000 Y=0.03050000 Z=0.00780000
          MULT= 4          ISPLIT=15
      -6: X=0.76220000 Y=0.96950000 Z=0.99220000
      -6: X=0.76220000 Y=0.96950000 Z=0.50780000
      -6: X=0.23780000 Y=0.03050000 Z=0.49220000
N          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   7.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.85200000 Y=0.15600000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -7: X=0.14800000 Y=0.84400000 Z=0.75000000
Li         NPT=  781  R0=.000100000 RMT=   2.00000   Z:   3.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000