P   LATTICE,NONEQUIV.ATOMS   6   33 Pna21   
MODE OF CALC=RELA unit=bohr
 15.391819  7.819687 30.923478 90.000000 90.000000 90.000000
ATOM  -1: X=0.32800000 Y=0.27600000 Z=0.63900000
          MULT= 4          ISPLIT=15
      -1: X=0.67200000 Y=0.72400000 Z=0.13900000
      -1: X=0.17200000 Y=0.77600000 Z=0.13900000
      -1: X=0.82800000 Y=0.22400000 Z=0.63900000
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=0.37300000 Y=0.27000000 Z=0.36200000
          MULT= 4          ISPLIT=15
      -2: X=0.62700000 Y=0.73000000 Z=0.86200000
      -2: X=0.12700000 Y=0.77000000 Z=0.86200000
      -2: X=0.87300000 Y=0.23000000 Z=0.36200000
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  -3: X=0.12100000 Y=0.75400000 Z=0.32000000
          MULT= 4          ISPLIT=15
      -3: X=0.87900000 Y=0.24600000 Z=0.82000000
      -3: X=0.37900000 Y=0.25400000 Z=0.82000000
      -3: X=0.62100000 Y=0.74600000 Z=0.32000000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.36900000 Y=0.25700000 Z=0.18600000
          MULT= 4          ISPLIT=15
      -4: X=0.63100000 Y=0.74300000 Z=0.68600000
      -4: X=0.13100000 Y=0.75700000 Z=0.68600000
      -4: X=0.86900000 Y=0.24300000 Z=0.18600000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.11400000 Y=0.35300000 Z=0.50600000
          MULT= 4          ISPLIT=15
      -5: X=0.88600000 Y=0.64700000 Z=0.00600000
      -5: X=0.38600000 Y=0.85300000 Z=0.00600000
      -5: X=0.61400000 Y=0.14700000 Z=0.50600000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.10300000 Y=0.33500000 Z=0.00500000
          MULT= 4          ISPLIT=15
      -6: X=0.89700000 Y=0.66500000 Z=0.50500000
      -6: X=0.39700000 Y=0.83500000 Z=0.50500000
      -6: X=0.60300000 Y=0.16500000 Z=0.00500000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000