P   LATTICE,NONEQUIV.ATOMS   5   33 Pna21   
MODE OF CALC=RELA unit=bohr
 11.436623 11.217414 16.085349 90.000000 90.000000 90.000000
ATOM  -1: X=0.46780000 Y=0.00410000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -1: X=0.53220000 Y=0.99590000 Z=0.50000000
      -1: X=0.03220000 Y=0.50410000 Z=0.50000000
      -1: X=0.96780000 Y=0.49590000 Z=0.00000000
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=0.48290000 Y=0.50110000 Z=0.27080000
          MULT= 4          ISPLIT=15
      -2: X=0.51710000 Y=0.49890000 Z=0.77080000
      -2: X=0.01710000 Y=0.00110000 Z=0.77080000
      -2: X=0.98290000 Y=0.99890000 Z=0.27080000
Y          NPT=  781  R0=.000010000 RMT=   2.00000   Z:  39.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.13780000 Y=0.34090000 Z=0.23170000
          MULT= 4          ISPLIT=15
      -3: X=0.86220000 Y=0.65910000 Z=0.73170000
      -3: X=0.36220000 Y=0.84090000 Z=0.73170000
      -3: X=0.63780000 Y=0.15910000 Z=0.23170000
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  -4: X=0.26700000 Y=0.79420000 Z=0.36360000
          MULT= 4          ISPLIT=15
      -4: X=0.73300000 Y=0.20580000 Z=0.86360000
      -4: X=0.23300000 Y=0.29420000 Z=0.86360000
      -4: X=0.76700000 Y=0.70580000 Z=0.36360000
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  -5: X=0.42040000 Y=0.37460000 Z=0.53060000
          MULT= 4          ISPLIT=15
      -5: X=0.57960000 Y=0.62540000 Z=0.03060000
      -5: X=0.07960000 Y=0.87460000 Z=0.03060000
      -5: X=0.92040000 Y=0.12540000 Z=0.53060000
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