P   LATTICE,NONEQUIV.ATOMS   5   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.228083 12.018658 17.876809 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.09900000 Y=0.03900000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.90100000 Y=0.96100000 Z=0.50000000
      -1: X=0.40100000 Y=0.53900000 Z=0.50000000
      -1: X=0.59900000 Y=0.46100000 Z=0.00000000
Sc         NPT=  781  R0=.000050000 RMT= 2.48        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00100000 Y=0.49900000 Z=0.76700000
          MULT= 4          ISPLIT= 8
      -2: X=0.99900000 Y=0.50100000 Z=0.26700000
      -2: X=0.49900000 Y=0.99900000 Z=0.26700000
      -2: X=0.50100000 Y=0.00100000 Z=0.76700000
Sc         NPT=  781  R0=.000050000 RMT= 2.48        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.30600000 Y=0.32700000 Z=0.18400000
          MULT= 4          ISPLIT= 8
      -3: X=0.69400000 Y=0.67300000 Z=0.68400000
      -3: X=0.19400000 Y=0.82700000 Z=0.68400000
      -3: X=0.80600000 Y=0.17300000 Z=0.18400000
S          NPT=  781  R0=.000100000 RMT= 2.14        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=0.17700000 Y=0.82300000 Z=0.32500000
          MULT= 4          ISPLIT= 8
      -4: X=0.82300000 Y=0.17700000 Z=0.82500000
      -4: X=0.32300000 Y=0.32300000 Z=0.82500000
      -4: X=0.67700000 Y=0.67700000 Z=0.32500000
S          NPT=  781  R0=.000100000 RMT= 2.14        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=0.04800000 Y=0.35800000 Z=0.51900000
          MULT= 4          ISPLIT= 8
      -5: X=0.95200000 Y=0.64200000 Z=0.01900000
      -5: X=0.45200000 Y=0.85800000 Z=0.01900000
      -5: X=0.54800000 Y=0.14200000 Z=0.51900000
S          NPT=  781  R0=.000100000 RMT= 2.14        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000