P   LATTICE,NONEQUIV.ATOMS   5   29 Pca21   
MODE OF CALC=RELA unit=bohr
 11.268437 23.160483 11.245760 90.000000 90.000000 90.000000
ATOM  -1: X=0.00270000 Y=0.09650000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -1: X=0.99730000 Y=0.90350000 Z=0.75000000
      -1: X=0.49730000 Y=0.09650000 Z=0.75000000
      -1: X=0.50270000 Y=0.90350000 Z=0.25000000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.02580000 Y=0.41470000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -2: X=0.97420000 Y=0.58530000 Z=0.75000000
      -2: X=0.47420000 Y=0.41470000 Z=0.75000000
      -2: X=0.52580000 Y=0.58530000 Z=0.25000000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.50730000 Y=0.22000000 Z=0.25300000
          MULT= 4          ISPLIT=15
      -3: X=0.49270000 Y=0.78000000 Z=0.75300000
      -3: X=0.99270000 Y=0.22000000 Z=0.75300000
      -3: X=0.00730000 Y=0.78000000 Z=0.25300000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.42220000 Y=0.39840000 Z=0.15430000
          MULT= 4          ISPLIT=15
      -4: X=0.57780000 Y=0.60160000 Z=0.65430000
      -4: X=0.07780000 Y=0.39840000 Z=0.65430000
      -4: X=0.92220000 Y=0.60160000 Z=0.15430000
Ga         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  31.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.74600000 Y=0.00100000 Z=0.01200000
          MULT= 4          ISPLIT=15
      -5: X=0.25400000 Y=0.99900000 Z=0.51200000
      -5: X=0.75400000 Y=0.00100000 Z=0.51200000
      -5: X=0.24600000 Y=0.99900000 Z=0.01200000
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