P   LATTICE,NONEQUIV.ATOMS   9   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.724119  9.267784 16.840105 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.33940000 Y=0.38930000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.66060000 Y=0.61070000 Z=0.50000000
      -1: X=0.16060000 Y=0.88930000 Z=0.50000000
      -1: X=0.83940000 Y=0.11070000 Z=0.00000000
Mo         NPT=  781  R0=.000010000 RMT= 1.66        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.44870000 Y=0.09950000 Z=0.31980000
          MULT= 4          ISPLIT= 8
      -2: X=0.55130000 Y=0.90050000 Z=0.81980000
      -2: X=0.05130000 Y=0.59950000 Z=0.81980000
      -2: X=0.94870000 Y=0.40050000 Z=0.31980000
As         NPT=  781  R0=.000050000 RMT= 1.66        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.48560000 Y=0.25610000 Z=0.15550000
          MULT= 4          ISPLIT= 8
      -3: X=0.51440000 Y=0.74390000 Z=0.65550000
      -3: X=0.01440000 Y=0.75610000 Z=0.65550000
      -3: X=0.98560000 Y=0.24390000 Z=0.15550000
O          NPT=  781  R0=.000100000 RMT= 1.50        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=0.00320000 Y=0.20560000 Z=0.46410000
          MULT= 4          ISPLIT= 8
      -4: X=0.99680000 Y=0.79440000 Z=0.96410000
      -4: X=0.49680000 Y=0.70560000 Z=0.96410000
      -4: X=0.50320000 Y=0.29440000 Z=0.46410000
O          NPT=  781  R0=.000100000 RMT= 1.50        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=0.26710000 Y=0.05260000 Z=0.32550000
          MULT= 4          ISPLIT= 8
      -5: X=0.73290000 Y=0.94740000 Z=0.82550000
      -5: X=0.23290000 Y=0.55260000 Z=0.82550000
      -5: X=0.76710000 Y=0.44740000 Z=0.32550000
O          NPT=  781  R0=.000100000 RMT= 1.50        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  -6: X=0.25180000 Y=0.57960000 Z=0.13130000
          MULT= 4          ISPLIT= 8
      -6: X=0.74820000 Y=0.42040000 Z=0.63130000
      -6: X=0.24820000 Y=0.07960000 Z=0.63130000
      -6: X=0.75180000 Y=0.92040000 Z=0.13130000
O          NPT=  781  R0=.000100000 RMT= 1.50        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  -7: X=0.02390000 Y=0.71270000 Z=0.32830000
          MULT= 4          ISPLIT= 8
      -7: X=0.97610000 Y=0.28730000 Z=0.82830000
      -7: X=0.47610000 Y=0.21270000 Z=0.82830000
      -7: X=0.52390000 Y=0.78730000 Z=0.32830000
O          NPT=  781  R0=.000100000 RMT= 1.50        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  -8: X=0.24580000 Y=0.09650000 Z=0.00370000
          MULT= 4          ISPLIT= 8
      -8: X=0.75420000 Y=0.90350000 Z=0.50370000
      -8: X=0.25420000 Y=0.59650000 Z=0.50370000
      -8: X=0.74580000 Y=0.40350000 Z=0.00370000
O          NPT=  781  R0=.000100000 RMT= 1.50        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  -9: X=0.38700000 Y=0.40800000 Z=0.65200000
          MULT= 4          ISPLIT= 8
      -9: X=0.61300000 Y=0.59200000 Z=0.15200000
      -9: X=0.11300000 Y=0.90800000 Z=0.15200000
      -9: X=0.88700000 Y=0.09200000 Z=0.65200000
Li         NPT=  781  R0=.000100000 RMT= 1.71        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000