P   LATTICE,NONEQUIV.ATOMS   6   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.097142 10.270662 22.266643 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.33800000 Y=0.14000000 Z=0.08800000
          MULT= 4          ISPLIT= 8
      -1: X=0.66200000 Y=0.86000000 Z=0.58800000
      -1: X=0.16200000 Y=0.64000000 Z=0.58800000
      -1: X=0.83800000 Y=0.36000000 Z=0.08800000
O          NPT=  781  R0=.000100000 RMT= 1.60        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  -2: X=0.15900000 Y=0.69200000 Z=0.18800000
          MULT= 4          ISPLIT= 8
      -2: X=0.84100000 Y=0.30800000 Z=0.68800000
      -2: X=0.34100000 Y=0.19200000 Z=0.68800000
      -2: X=0.65900000 Y=0.80800000 Z=0.18800000
O          NPT=  781  R0=.000100000 RMT= 1.60        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  -3: X=0.07100000 Y=0.21300000 Z=0.31300000
          MULT= 4          ISPLIT= 8
      -3: X=0.92900000 Y=0.78700000 Z=0.81300000
      -3: X=0.42900000 Y=0.71300000 Z=0.81300000
      -3: X=0.57100000 Y=0.28700000 Z=0.31300000
O          NPT=  781  R0=.000100000 RMT= 1.60        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=0.34100000 Y=0.80600000 Z=0.40100000
          MULT= 4          ISPLIT= 8
      -4: X=0.65900000 Y=0.19400000 Z=0.90100000
      -4: X=0.15900000 Y=0.30600000 Z=0.90100000
      -4: X=0.84100000 Y=0.69400000 Z=0.40100000
O          NPT=  781  R0=.000100000 RMT= 1.60        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=0.12600000 Y=0.49700000 Z=0.74600000
          MULT= 4          ISPLIT= 8
      -5: X=0.87400000 Y=0.50300000 Z=0.24600000
      -5: X=0.37400000 Y=0.99700000 Z=0.24600000
      -5: X=0.62600000 Y=0.00300000 Z=0.74600000
Sb         NPT=  781  R0=.000010000 RMT= 1.86        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.48000000 Y=0.46500000 Z=0.00100000
          MULT= 4          ISPLIT= 8
      -6: X=0.52000000 Y=0.53500000 Z=0.50100000
      -6: X=0.02000000 Y=0.96500000 Z=0.50100000
      -6: X=0.98000000 Y=0.03500000 Z=0.00100000
Sb         NPT=  781  R0=.000010000 RMT= 1.86        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000