P   LATTICE,NONEQUIV.ATOMS   9   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.575458 12.464634 23.222844 90.000000 90.000000104.020000                   
ATOM  -1: X=0.18140000 Y=0.29698000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.81860000 Y=0.70302000 Z=0.75000000
P          NPT=  781  R0=.000100000 RMT= 1.47        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.81557000 Y=0.17950000 Z=0.12999000
          MULT= 4          ISPLIT= 8
      -2: X=0.18443000 Y=0.82050000 Z=0.87001000
      -2: X=0.18443000 Y=0.82050000 Z=0.62999000
      -2: X=0.81557000 Y=0.17950000 Z=0.37001000
P          NPT=  781  R0=.000100000 RMT= 1.47        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.96177000 Y=0.78955000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.03823000 Y=0.21045000 Z=0.75000000
P          NPT=  781  R0=.000100000 RMT= 1.47        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.23707000 Y=0.00399000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.76293000 Y=0.99601000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.84        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=0.18733000 Y=0.13281000 Z=0.61191000
          MULT= 4          ISPLIT= 8
      -5: X=0.81267000 Y=0.86719000 Z=0.38809000
      -5: X=0.81267000 Y=0.86719000 Z=0.11191000
      -5: X=0.18733000 Y=0.13281000 Z=0.88809000
S          NPT=  781  R0=.000100000 RMT= 1.84        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=0.69491000 Y=0.29184000 Z=0.01715000
          MULT= 4          ISPLIT= 8
      -6: X=0.30509000 Y=0.70816000 Z=0.98285000
      -6: X=0.30509000 Y=0.70816000 Z=0.51715000
      -6: X=0.69491000 Y=0.29184000 Z=0.48285000
S          NPT=  781  R0=.000100000 RMT= 1.84        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  -7: X=0.40117000 Y=0.52019000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.59883000 Y=0.47981000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.84        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  -8: X=0.72690000 Y=0.19962000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -8: X=0.27310000 Y=0.80038000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.62        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=0.03838000 Y=0.29855000 Z=0.14801000
          MULT= 4          ISPLIT= 8
      -9: X=0.96162000 Y=0.70145000 Z=0.85199000
      -9: X=0.96162000 Y=0.70145000 Z=0.64801000
      -9: X=0.03838000 Y=0.29855000 Z=0.35199000
O          NPT=  781  R0=.000100000 RMT= 1.62        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000